AMBER Archive (2008) - Aug 2008 By DateMost recent messages
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Starting: Fri Aug 01 2008 - 01:59:00 CDT
Ending: Sun Aug 31 2008 - 16:30:08 CDT
- AMBER: Compailation problum in Amber 10 srinivas sudani (Fri Aug 01 2008 - 01:59:00 CDT)
- AMBER: bacteriochlorophyll ff Anna Karawajczyk (Fri Aug 01 2008 - 05:04:44 CDT)
- AMBER: Bonds getting shorter in sander Peter Gannett (Fri Aug 01 2008 - 07:47:02 CDT)
- Re: AMBER: Bonds getting shorter in sander Carlos Simmerling (Fri Aug 01 2008 - 08:18:36 CDT)
- Fwd: AMBER: prepare an initial structure in Amber Lachele Foley (Lists) (Fri Aug 01 2008 - 09:52:50 CDT)
- Re: AMBER: silhouette width/coefficient after clustering by PTRAJ9.9 Jianyin Shao (Fri Aug 01 2008 - 14:43:14 CDT)
- Re: AMBER: Compailation problum in Amber 10 David A. Case (Fri Aug 01 2008 - 14:48:55 CDT)
- AMBER: Simulating protein conformational changes? Sasha Buzko (Fri Aug 01 2008 - 17:42:07 CDT)
- AMBER: respgen -a charge groups function ineffective unless Grange Hermitage (Sat Aug 02 2008 - 00:00:29 CDT)
- AMBER: PDB files in Amber10 Francesco Pietra (Sat Aug 02 2008 - 02:21:58 CDT)
- AMBER: error in parallel amber 9 test Jaber Jahanbin Sardroodi (Sat Aug 02 2008 - 16:12:07 CDT)
- Re: AMBER: error in parallel amber 9 test David A. Case (Sat Aug 02 2008 - 20:37:10 CDT)
- Re: AMBER: silhouette width/coefficient after clustering by PTRAJ9.9 Jianyin Shao (Sat Aug 02 2008 - 21:23:53 CDT)
- Re: AMBER: Trans proline Brent Krueger (Sat Aug 02 2008 - 22:47:16 CDT)
- Re: AMBER: error in parallel amber 9 test Jaber Jahanbin Sardroodi (Sun Aug 03 2008 - 03:15:19 CDT)
- Re: AMBER: error in parallel amber 9 test David A. Case (Sun Aug 03 2008 - 23:28:45 CDT)
- Re: AMBER: Compailation problum in Amber 10 srinivas sudani (Mon Aug 04 2008 - 00:41:13 CDT)
- AMBER: Problem with setting the NMR restraints Alex Spasic (Mon Aug 04 2008 - 09:15:25 CDT)
- AMBER: Set 251 is corrupted, ptraj error... Waqas Nasir (Mon Aug 04 2008 - 09:54:09 CDT)
- Re: AMBER: Problem with setting the NMR restraints David A. Case (Mon Aug 04 2008 - 10:26:51 CDT)
- Re: AMBER: Set 251 is corrupted, ptraj error... David A. Case (Mon Aug 04 2008 - 10:31:28 CDT)
- Re: AMBER: Problem with setting the NMR restraints Alex Spasic (Mon Aug 04 2008 - 11:58:17 CDT)
- Re: AMBER: Problem with setting the NMR restraints Carlos Simmerling (Mon Aug 04 2008 - 13:28:36 CDT)
- AMBER: Biased MD with Amber 10 Francesco Pietra (Mon Aug 04 2008 - 13:35:31 CDT)
- Re: AMBER: Problem with setting the NMR restraints Alex Spasic (Mon Aug 04 2008 - 14:35:20 CDT)
- AMBER: divcon.rst ?? IN SUK JOUNG (Mon Aug 04 2008 - 19:06:43 CDT)
- AMBER: help me for filling a nanotube with water?? Jaber Jahanbin Sardroodi (Mon Aug 04 2008 - 20:39:05 CDT)
- AMBER: NMR structure as initial structure Siddharth Rastogi (Tue Aug 05 2008 - 01:40:54 CDT)
- AMBER: addles Urszula Uciechowska (Tue Aug 05 2008 - 03:30:20 CDT)
- AMBER: Need help with force field parameters for Lipopolysaccharide (LPS) dipti lele (Tue Aug 05 2008 - 05:03:10 CDT)
- Re: AMBER: addles Carlos Simmerling (Tue Aug 05 2008 - 06:02:47 CDT)
- Re: AMBER: Set 251 is corrupted, ptraj error... Waqas Nasir (Tue Aug 05 2008 - 06:23:47 CDT)
- AMBER: MM_PBSA snapshot statistic calc problem Hannes Wallnoefer (Tue Aug 05 2008 - 07:45:48 CDT)
- Re: AMBER: Need help with force field parameters for Lipopolysaccharide (LPS) Wenyong Tong (Tue Aug 05 2008 - 09:51:31 CDT)
- RE: AMBER: Need help with force field parameters for Lipopolysaccharide (LPS) Matthew Tessier (Tue Aug 05 2008 - 10:07:22 CDT)
- Re: AMBER: Prepgen Junmei Wang (Tue Aug 05 2008 - 10:50:00 CDT)
- Re: AMBER: Need help with force field parameters for Lipopolysaccharide (LPS) Wenyong Tong (Tue Aug 05 2008 - 14:32:31 CDT)
- AMBER: NAB: getseq_from_pdb() IN SUK JOUNG (Tue Aug 05 2008 - 19:00:21 CDT)
- Re: AMBER: NMR structure as initial structure David A. Case (Tue Aug 05 2008 - 19:09:25 CDT)
- AMBER: Compailation problum in Amber 10 srinivas sudani (Wed Aug 06 2008 - 04:24:51 CDT)
- RE: AMBER: Compailation problum in Amber 10 Ross Walker (Wed Aug 06 2008 - 09:50:05 CDT)
- AMBER: Problems with the charge (membrane simulation) rebeca_at_mmb.pcb.ub.es (Wed Aug 06 2008 - 13:20:30 CDT)
- AMBER: Not integral charge increasing with number of lipids rebeca_at_mmb.pcb.ub.es (Thu Aug 07 2008 - 05:18:01 CDT)
- AMBER: entropy of released water Swarup Gupta (Thu Aug 07 2008 - 07:36:32 CDT)
- AMBER: Re: entropy of released water Swarup Gupta (Thu Aug 07 2008 - 07:40:26 CDT)
- AMBER: aggregation or cluster detection fatima.chami_at_durham.ac.uk (Thu Aug 07 2008 - 08:41:24 CDT)
- AMBER: linear interaction energy Urszula Uciechowska (Thu Aug 07 2008 - 08:55:18 CDT)
- AMBER: NAB conjgrad returns error? Carra, Claudio (JSC-SK)[USRA] (Thu Aug 07 2008 - 10:04:38 CDT)
- AMBER: problem with minimization luzhenw1_at_msu.edu (Thu Aug 07 2008 - 10:13:17 CDT)
- RE: AMBER: Problems with the charge (membrane simulation) Ross Walker (Thu Aug 07 2008 - 10:18:12 CDT)
- RE: AMBER: Not integral charge increasing with number of lipids Ross Walker (Thu Aug 07 2008 - 10:24:28 CDT)
- RE: AMBER: aggregation or cluster detection Ross Walker (Thu Aug 07 2008 - 10:29:28 CDT)
- Re: AMBER: NAB conjgrad returns error? Andreas Svrcek-Seiler (Thu Aug 07 2008 - 10:33:28 CDT)
- Re: AMBER: problem with minimization Carlos Simmerling (Thu Aug 07 2008 - 10:29:10 CDT)
- Re: AMBER: aggregation or cluster detection Carlos Simmerling (Thu Aug 07 2008 - 10:38:52 CDT)
- Re: AMBER: aggregation or cluster detection Lachele Foley (Lists) (Thu Aug 07 2008 - 10:44:07 CDT)
- RE: AMBER: problem with minimization Ross Walker (Thu Aug 07 2008 - 10:40:46 CDT)
- RE: AMBER: NAB conjgrad returns error? Carra, Claudio (JSC-SK)[USRA] (Thu Aug 07 2008 - 11:19:52 CDT)
- AMBER: parameters Thomas Leonard (Fri Aug 08 2008 - 00:45:09 CDT)
- RE: AMBER: Compailation problum in Amber 10 Ranga Swamy (Fri Aug 08 2008 - 03:12:56 CDT)
- AMBER: value of Pi in Amber Alan (Fri Aug 08 2008 - 05:36:06 CDT)
- AMBER: LES Urszula Uciechowska (Fri Aug 08 2008 - 07:31:56 CDT)
- RE: AMBER: NAB conjgrad returns error? NIEL MICHAEL HENRIKSEN (Fri Aug 08 2008 - 08:50:05 CDT)
- AMBER: PBCAL in MM_PBSA Hannes Wallnoefer (Fri Aug 08 2008 - 09:19:30 CDT)
- RE: AMBER: NAB conjgrad returns error? Andreas Svrcek-Seiler (Fri Aug 08 2008 - 10:48:28 CDT)
- RE: AMBER: PBCAL in MM_PBSA Ray Luo (Fri Aug 08 2008 - 13:27:17 CDT)
- RE: AMBER: NAB conjgrad returns error? NIEL MICHAEL HENRIKSEN (Fri Aug 08 2008 - 14:31:13 CDT)
- Re: AMBER: Compailation problum in Amber 10 David A. Case (Fri Aug 08 2008 - 17:50:55 CDT)
- AMBER: Is G_disp calculated in MM_PBSA now? cgji (Sat Aug 09 2008 - 07:51:55 CDT)
- Re: AMBER: Prepgen Grange Hermitage (Mon Aug 11 2008 - 02:10:00 CDT)
- AMBER: PBCAL in MM_PBSA Thomas Leonard (Mon Aug 11 2008 - 03:12:51 CDT)
- AMBER: mmpbsa Urszula Uciechowska (Mon Aug 11 2008 - 03:43:17 CDT)
- AMBER: Minimization methods teresa.ierano_at_unina.it (Mon Aug 11 2008 - 07:11:23 CDT)
- Re: AMBER: Minimization methods E.M. (Mon Aug 11 2008 - 07:22:25 CDT)
- RE: AMBER: Minimization methods Ross Walker (Mon Aug 11 2008 - 09:43:47 CDT)
- Re: AMBER: Minimization methods M. L. Dodson (Mon Aug 11 2008 - 10:34:05 CDT)
- RE: AMBER: Minimization methods teresa.ierano_at_unina.it (Mon Aug 11 2008 - 11:30:50 CDT)
- Re: AMBER: Minimization methods teresa.ierano_at_unina.it (Mon Aug 11 2008 - 11:39:30 CDT)
- RE: AMBER: Is G_disp calculated in MM_PBSA now? Ray Luo (Mon Aug 11 2008 - 14:33:14 CDT)
- RE: AMBER: NAB conjgrad returns error? Carra, Claudio (JSC-SK)[USRA] (Mon Aug 11 2008 - 16:14:12 CDT)
- Re: AMBER: NAB conjgrad returns error? David A. Case (Mon Aug 11 2008 - 16:40:49 CDT)
- RE: AMBER: NAB conjgrad returns error? Carra, Claudio (JSC-SK)[USRA] (Mon Aug 11 2008 - 17:44:09 CDT)
- RE: AMBER: NAB conjgrad returns error? NIEL MICHAEL HENRIKSEN (Mon Aug 11 2008 - 18:07:27 CDT)
- AMBER: GPCR membrane simulation, setting surface tension Fiona McRobb (Mon Aug 11 2008 - 20:42:47 CDT)
- AMBER: questions about previous posts Naser Alijabbari (Mon Aug 11 2008 - 23:17:40 CDT)
- RE: AMBER: questions about previous posts Ross Walker (Tue Aug 12 2008 - 01:18:49 CDT)
- AMBER: Using RDCs for structure refinement David Witte (Tue Aug 12 2008 - 02:52:53 CDT)
- Re: AMBER: GPCR membrane simulation, setting surface tension Vlad Cojocaru (Tue Aug 12 2008 - 03:45:08 CDT)
- AMBER: Querry about simulating a glycopeptide dipti lele (Tue Aug 12 2008 - 05:23:24 CDT)
- Re: AMBER: Querry about simulating a glycopeptide Lachele Foley (Lists) (Tue Aug 12 2008 - 09:03:14 CDT)
- Re: AMBER: Using RDCs for structure refinement David A. Case (Tue Aug 12 2008 - 11:36:24 CDT)
- AMBER: MM-PBSA Issue in Amber 10 Peterson, Matthew W. (Tue Aug 12 2008 - 12:44:29 CDT)
- AMBER: empty frcmod file but missing parameters moitrayee_at_mbu.iisc.ernet.in (Tue Aug 12 2008 - 16:20:19 CDT)
- Re: AMBER: empty frcmod file but missing parameters Alessandro Nascimento (Tue Aug 12 2008 - 17:02:01 CDT)
- Re: AMBER: Prepgen Junmei Wang (Tue Aug 12 2008 - 17:30:45 CDT)
- AMBER: frcmod:attn needs revision moitrayee_at_mbu.iisc.ernet.in (Tue Aug 12 2008 - 17:18:02 CDT)
- Re: AMBER: empty frcmod file but missing parameters moitrayee_at_mbu.iisc.ernet.in (Tue Aug 12 2008 - 17:10:03 CDT)
- AMBER: glycoprotein setup Arturas Ziemys (Tue Aug 12 2008 - 22:35:35 CDT)
- RE: [!!!] - Re: AMBER: GPCR membrane simulation, setting surface tension - Message is from an unknown sender Fiona McRobb (Wed Aug 13 2008 - 00:09:49 CDT)
- Re: AMBER: help me for filling a nanotube with water?? Markus Kaukonen (Wed Aug 13 2008 - 01:29:48 CDT)
- AMBER: general question Gigil Toton (Wed Aug 13 2008 - 01:49:12 CDT)
- AMBER: amber 9 on Intel Harpertown Geoff Wood (Wed Aug 13 2008 - 04:45:36 CDT)
- AMBER: problem with prep file generation aneesh cna (Wed Aug 13 2008 - 07:05:58 CDT)
- AMBER: modified parmtop file from ptraj? Hannes Wallnoefer (Wed Aug 13 2008 - 07:14:34 CDT)
- AMBER: Querry dipti lele (Wed Aug 13 2008 - 07:15:11 CDT)
- Re: AMBER: modified parmtop file from ptraj? Florian Haberl (Wed Aug 13 2008 - 07:47:21 CDT)
- Re: AMBER: modified parmtop file from ptraj? Daniel Cappel (Wed Aug 13 2008 - 08:37:19 CDT)
- RE: AMBER: amber 9 on Intel Harpertown Ross Walker (Wed Aug 13 2008 - 09:24:47 CDT)
- RE: AMBER: Querry Ross Walker (Wed Aug 13 2008 - 09:48:19 CDT)
- Re: AMBER: Querry Lachele Foley (Lists) (Wed Aug 13 2008 - 10:03:49 CDT)
- Re: AMBER: frcmod:attn needs revision Junmei Wang (Wed Aug 13 2008 - 11:45:11 CDT)
- Re: AMBER: help me for filling a nanotube with water?? Thomas Steinbrecher (Wed Aug 13 2008 - 11:40:22 CDT)
- Re: AMBER: problem with prep file generation Junmei Wang (Wed Aug 13 2008 - 11:59:49 CDT)
- Re: AMBER: frcmod:attn needs revision moitrayee_at_mbu.iisc.ernet.in (Wed Aug 13 2008 - 11:55:40 CDT)
- Re: AMBER: modified parmtop file from ptraj? Thomas Cheatham (Wed Aug 13 2008 - 12:43:24 CDT)
- Re: AMBER: frcmod:attn needs revision Junmei Wang (Wed Aug 13 2008 - 14:34:50 CDT)
- AMBER: Compile AMBER 9 on TACC Ranger super computer jialei (Wed Aug 13 2008 - 17:26:07 CDT)
- AMBER: mm-pbsa / sander.MPI ? Arturas Ziemys (Wed Aug 13 2008 - 17:26:56 CDT)
- RE: AMBER: Compile AMBER 9 on TACC Ranger super computer Ross Walker (Wed Aug 13 2008 - 22:39:47 CDT)
- AMBER: how to choose the appropriate ensemble for a given problem Ruchi Sachdeva (Wed Aug 13 2008 - 23:09:28 CDT)
- AMBER: MD with NMR restraints Sally Pias (Wed Aug 13 2008 - 23:25:56 CDT)
- Re: AMBER: frcmod:attn needs revision moitrayee_at_mbu.iisc.ernet.in (Wed Aug 13 2008 - 23:51:50 CDT)
- AMBER: amber9 hangas after job submission Vijay Manickam Achari (Thu Aug 14 2008 - 01:40:03 CDT)
- Re: AMBER: mm-pbsa / sander.MPI ? Miguel Ortiz-Lombardía (Thu Aug 14 2008 - 02:58:54 CDT)
- AMBER: minimization stops or does not write anything rebeca_at_mmb.pcb.ub.es (Thu Aug 14 2008 - 04:01:17 CDT)
- Re: AMBER: amber9 hangas after job submission Carlos Simmerling (Thu Aug 14 2008 - 05:45:14 CDT)
- AMBER: Glycoprotein once again.......... dipti lele (Thu Aug 14 2008 - 07:10:10 CDT)
- AMBER: constph shubhra srivastava (Thu Aug 14 2008 - 06:54:57 CDT)
- Re: AMBER: minimization stops or does not write anything Robert Duke (Thu Aug 14 2008 - 07:39:01 CDT)
- Re: AMBER: amber9 hangas after job submission Robert Duke (Thu Aug 14 2008 - 07:54:43 CDT)
- Re: AMBER: Glycoprotein once again.......... Lachele Foley (Lists) (Thu Aug 14 2008 - 08:28:30 CDT)
- Re:AMBER: Compile AMBER 9 on TACC Ranger super computer ÕÅÓÂ (Thu Aug 14 2008 - 08:32:30 CDT)
- Re:AMBER: Compile AMBER 9 on TACC Ranger super computer ÕÅÓÂ (Thu Aug 14 2008 - 08:32:30 CDT)
- Re: AMBER: mm-pbsa / sander.MPI ? Arturas Ziemys (Thu Aug 14 2008 - 09:42:02 CDT)
- AMBER: interaction energies Arturas Ziemys (Thu Aug 14 2008 - 10:21:34 CDT)
- RE: AMBER: Compile AMBER 9 on TACC Ranger super computer Ross Walker (Thu Aug 14 2008 - 11:00:02 CDT)
- AMBER: Help compiling Nab programs for AMBER tools Ragnarok sdf (Thu Aug 14 2008 - 14:36:04 CDT)
- Re: AMBER: Compile AMBER 9 on TACC Ranger super computer David LeBard (Thu Aug 14 2008 - 14:43:52 CDT)
- Re: AMBER: Help compiling Nab programs for AMBER tools M. L. Dodson (Thu Aug 14 2008 - 14:50:51 CDT)
- AMBER: generate topology file for alanine scanning (mmpbsa) luzhenw1_at_msu.edu (Thu Aug 14 2008 - 14:32:56 CDT)
- AMBER: Proton Parameters Shultz, Jack (Thu Aug 14 2008 - 15:34:54 CDT)
- RE: AMBER: Compile AMBER 9 on TACC Ranger super computer jialei (Thu Aug 14 2008 - 19:15:39 CDT)
- RE: AMBER: Compile AMBER 9 on TACC Ranger super computer Ross Walker (Thu Aug 14 2008 - 19:38:30 CDT)
- AMBER: impropers over bonds between sidechains Grange Hermitage (Thu Aug 14 2008 - 20:12:05 CDT)
- Re: AMBER: impropers over bonds between sidechains M. L. Dodson (Thu Aug 14 2008 - 21:29:54 CDT)
- Re: AMBER: impropers over bonds between sidechains Grange Hermitage (Thu Aug 14 2008 - 22:08:49 CDT)
- Re: AMBER: Prepgen Grange Hermitage (Fri Aug 15 2008 - 01:12:50 CDT)
- Re: AMBER: Prepgen Junmei Wang (Fri Aug 15 2008 - 08:52:27 CDT)
- Re: AMBER: interaction energies Alessandro Nascimento (Fri Aug 15 2008 - 11:18:05 CDT)
- RE: AMBER: Compile AMBER 9 on TACC Ranger super computer jialei (Fri Aug 15 2008 - 11:38:38 CDT)
- RE: AMBER: Compile AMBER 9 on TACC Ranger super computer Ross Walker (Fri Aug 15 2008 - 12:36:36 CDT)
- Re: AMBER: questions about previous posts David A. Case (Sat Aug 16 2008 - 10:00:38 CDT)
- AMBER: solvatebox TIP4PEWBOX amb2gmx gives TIP3P in top TIP4PEW in gro Grange Hermitage (Sun Aug 17 2008 - 21:28:17 CDT)
- AMBER: Negative dihedral coefficients in amber99 - Possible? Ilyas Yildirim (Sun Aug 17 2008 - 21:33:16 CDT)
- Re: AMBER: Prepgen Grange Hermitage (Sun Aug 17 2008 - 22:22:32 CDT)
- Re: AMBER: solvatebox TIP4PEWBOX amb2gmx gives TIP3P in top TIP4PEW in gro Grange Hermitage (Mon Aug 18 2008 - 00:04:18 CDT)
- RE: AMBER: Negative dihedral coefficients in amber99 - Possible? Ross Walker (Mon Aug 18 2008 - 00:15:45 CDT)
- AMBER: trying ff99SP Grange Hermitage (Mon Aug 18 2008 - 01:12:33 CDT)
- Re: AMBER: solvatebox TIP4PEWBOX amb2gmx gives TIP3P in top TIP4PEW in gro Alan (Mon Aug 18 2008 - 02:42:35 CDT)
- AMBER: unsubscribe khuram sb (Mon Aug 18 2008 - 03:56:36 CDT)
- Re: AMBER: solvatebox TIP4PEWBOX amb2gmx gives TIP3P in top TIP4PEW in gro Grange Hermitage (Mon Aug 18 2008 - 04:01:38 CDT)
- Re: AMBER: solvatebox TIP4PEWBOX amb2gmx gives TIP3P in top TIP4PEW in gro Alan (Mon Aug 18 2008 - 04:34:03 CDT)
- AMBER: RDF output file format aneesh cna (Mon Aug 18 2008 - 04:48:45 CDT)
- Re: AMBER: RDF output file format Bertrand P. S. Russell (Mon Aug 18 2008 - 05:26:08 CDT)
- Re: AMBER: solvatebox TIP4PEWBOX amb2gmx gives TIP3P in top TIP4PEW in gro Grange Hermitage (Mon Aug 18 2008 - 19:30:25 CDT)
- AMBER: Initial structure from NMR structures Siddharth Rastogi (Tue Aug 19 2008 - 01:15:44 CDT)
- AMBER: How to convert a CHARMM trajectory to AMBER format? Jeffrey (Tue Aug 19 2008 - 06:30:35 CDT)
- Re: AMBER: How to convert a CHARMM trajectory to AMBER format? Wei Huang (Tue Aug 19 2008 - 09:02:22 CDT)
- RE: AMBER: Initial structure from NMR structures Ross Walker (Tue Aug 19 2008 - 09:05:43 CDT)
- RE: AMBER: How to convert a CHARMM trajectory to AMBER format? Ross Walker (Tue Aug 19 2008 - 09:26:25 CDT)
- AMBER: Compile Error Shultz, Jack (Tue Aug 19 2008 - 10:44:25 CDT)
- AMBER: Amber compile Shultz, Jack (Tue Aug 19 2008 - 13:21:18 CDT)
- RE: AMBER: Amber compile Shultz, Jack (Tue Aug 19 2008 - 14:25:56 CDT)
- AMBER: IGB=10 in Amber10 In Hee Park (Tue Aug 19 2008 - 13:55:05 CDT)
- AMBER: Problem loading the leaprc.amoeba force field file in Amber 10. Zhao, Zhen (zhaozh) (Tue Aug 19 2008 - 15:20:00 CDT)
- AMBER: Problems with sleap and amoeba Neil J. Henson (Tue Aug 19 2008 - 18:16:17 CDT)
- Re: AMBER: Problems with sleap and amoeba Bill Ross (Tue Aug 19 2008 - 18:51:18 CDT)
- Re: AMBER: Problems with sleap and amoeba Neil J. Henson (Tue Aug 19 2008 - 19:03:52 CDT)
- Re: RE: AMBER: How to convert a CHARMM trajectory to AMBER format? Jeffrey (Tue Aug 19 2008 - 19:43:58 CDT)
- AMBER: Questions about Locally enhanced sampling (LES) and Replica exchange xiaonan zhang (Wed Aug 20 2008 - 02:25:43 CDT)
- AMBER: Trouble installing Amber 9 Sampath Koppole (Wed Aug 20 2008 - 05:28:58 CDT)
- AMBER: Force field equation Chih-Ying Lin (Wed Aug 20 2008 - 11:05:39 CDT)
- AMBER: Silicon parameters Abdul Hameed, MohamedDiwanMo (Wed Aug 20 2008 - 11:15:56 CDT)
- Re: AMBER: MD with NMR restraints David A. Case (Wed Aug 20 2008 - 12:07:15 CDT)
- Re: AMBER: Proton Parameters David A. Case (Wed Aug 20 2008 - 12:12:02 CDT)
- Re: AMBER: impropers over bonds between sidechains David A. Case (Wed Aug 20 2008 - 12:14:03 CDT)
- Re: AMBER: Problem loading the leaprc.amoeba force field file in Amber 10. David A. Case (Wed Aug 20 2008 - 12:24:17 CDT)
- AMBER: Using Na+ ions as input to leap? Pablo Englebienne (Wed Aug 20 2008 - 12:40:11 CDT)
- AMBER: NMR average structure Gigil Toton (Wed Aug 20 2008 - 12:42:08 CDT)
- Re: AMBER: Questions about Locally enhanced sampling (LES) and Replica exchange Carlos Simmerling (Wed Aug 20 2008 - 12:47:12 CDT)
- Re: AMBER: NMR average structure Carlos Simmerling (Wed Aug 20 2008 - 12:50:28 CDT)
- Re: AMBER: Force field equation Carlos Simmerling (Wed Aug 20 2008 - 12:53:03 CDT)
- Re: AMBER: trying ff99SP David A. Case (Wed Aug 20 2008 - 13:31:22 CDT)
- AMBER: MOIL-View: is there a command line version? Sasha Buzko (Wed Aug 20 2008 - 13:35:24 CDT)
- Re: AMBER: MOIL-View: is there a command line version? Carlos Simmerling (Wed Aug 20 2008 - 13:46:12 CDT)
- Re: AMBER: MOIL-View: is there a command line version? Sasha Buzko (Wed Aug 20 2008 - 13:50:39 CDT)
- Re: AMBER: Using Na+ ions as input to leap? - solved Pablo Englebienne (Wed Aug 20 2008 - 14:25:25 CDT)
- AMBER: MOIL-View is for SGI. How do we analyze LES trajectories? Sasha Buzko (Wed Aug 20 2008 - 17:42:01 CDT)
- AMBER: Vlimit Exceeded and inhomogeneous system !!!!!! Piyush Wanjari (Wed Aug 20 2008 - 23:36:20 CDT)
- Re: AMBER: Force field equation Chih-Ying Lin (Thu Aug 21 2008 - 00:16:42 CDT)
- AMBER: pdb file ?? Chih-Ying Lin (Thu Aug 21 2008 - 01:21:47 CDT)
- Re: Re: RE: AMBER: How to convert a CHARMM trajectory to AMBER format? Jeffrey (Thu Aug 21 2008 - 02:11:55 CDT)
- AMBER: new residues in AMOEBA Grange Hermitage (Thu Aug 21 2008 - 02:14:59 CDT)
- Re: AMBER: Force field equation Carlos Simmerling (Thu Aug 21 2008 - 07:21:55 CDT)
- AMBER: Fwd: Welcome to amber Maicon Sartin (Thu Aug 21 2008 - 07:33:08 CDT)
- AMBER: SANDER Parallel Maicon Sartin (Thu Aug 21 2008 - 07:36:56 CDT)
- AMBER: Gohlke in-house iRED Simulated Order Parameter Script Titus, Jamie (bairdje) (Thu Aug 21 2008 - 07:53:09 CDT)
- AMBER: DFTB QMMM parameters ambiguity in AMBER10 docs M. L. Dodson (Thu Aug 21 2008 - 12:56:38 CDT)
- AMBER: Error when compiling and testing AmberTools Ben Roberts (Thu Aug 21 2008 - 16:46:43 CDT)
- AMBER: all & united atoms force field fatima.chami_at_durham.ac.uk (Thu Aug 21 2008 - 17:05:12 CDT)
- Re: AMBER: all & united atoms force field cgji (Thu Aug 21 2008 - 17:28:49 CDT)
- AMBER: Error runing Addles Shultz, Jack (Thu Aug 21 2008 - 22:25:17 CDT)
- Re: AMBER: Error when compiling and testing AmberTools Andreas Svrcek-Seiler (Fri Aug 22 2008 - 04:11:14 CDT)
- AMBER: united atom force field Adrien Delmont (Fri Aug 22 2008 - 07:35:06 CDT)
- Re: AMBER: Error runing Addles Carlos Simmerling (Fri Aug 22 2008 - 07:48:07 CDT)
- Re: AMBER: all & united atoms force field fatima.chami_at_durham.ac.uk (Fri Aug 22 2008 - 08:31:34 CDT)
- Re: AMBER: united atom force field Ray Luo (Fri Aug 22 2008 - 12:37:38 CDT)
- Re: AMBER: all & united atoms force field Ray Luo (Fri Aug 22 2008 - 12:44:16 CDT)
- Re: AMBER: united atom force field Adrien Delmont (Fri Aug 22 2008 - 14:17:10 CDT)
- Re: AMBER: all & united atoms force field fatima.chami_at_durham.ac.uk (Fri Aug 22 2008 - 15:46:11 CDT)
- AMBER: vdw 6-9 potential fatima.chami_at_durham.ac.uk (Fri Aug 22 2008 - 15:56:57 CDT)
- Re: AMBER: Silicon parameters Junmei Wang (Fri Aug 22 2008 - 15:29:05 CDT)
- Re: AMBER: vdw 6-9 potential Carlos Simmerling (Fri Aug 22 2008 - 16:02:48 CDT)
- RE: AMBER: all & united atoms force field Yong Duan (Fri Aug 22 2008 - 19:39:23 CDT)
- AMBER: Dell 2 Quad Core System Performance Ilyas Yildirim (Fri Aug 22 2008 - 20:16:49 CDT)
- Re: AMBER: Vlimit Exceeded and inhomogeneous system !!!!!! David A. Case (Fri Aug 22 2008 - 22:11:14 CDT)
- Re: AMBER: vdw 6-9 potential fatima.chami_at_durham.ac.uk (Sat Aug 23 2008 - 05:34:57 CDT)
- Re: AMBER: vdw 6-9 potential Carlos Simmerling (Sat Aug 23 2008 - 05:51:24 CDT)
- Re: AMBER: MOIL-View is for SGI. How do we analyze LES trajectories? Carlos Simmerling (Sat Aug 23 2008 - 07:39:16 CDT)
- Re: AMBER: MOIL-View is for SGI. How do we analyze LES trajectories? Sasha Buzko (Sat Aug 23 2008 - 15:19:07 CDT)
- AMBER: LES trajectories Urszula Uciechowska (Mon Aug 25 2008 - 03:12:23 CDT)
- AMBER: pmemd iwrap trouble Lars Skjærven (Mon Aug 25 2008 - 05:25:09 CDT)
- Re: AMBER: pmemd iwrap trouble Robert Duke (Mon Aug 25 2008 - 07:40:03 CDT)
- AMBER: mol2, xleap, Segmentation fault Anna Karawajczyk (Mon Aug 25 2008 - 08:01:31 CDT)
- Re: AMBER: pmemd iwrap trouble Lars Skjærven (Mon Aug 25 2008 - 08:32:26 CDT)
- AMBER: Parameters for chloride ion in contact with a protein Francesco Pietra (Mon Aug 25 2008 - 09:25:13 CDT)
- Re: AMBER: mol2, xleap, Segmentation fault Cenk \(Jenk\) Andac (Mon Aug 25 2008 - 09:38:28 CDT)
- Re: AMBER: pmemd iwrap trouble Lars Skjærven (Mon Aug 25 2008 - 09:58:01 CDT)
- AMBER: Problem with the prmtop file generated by sleap and leaprc.amoeba in Amber 10. Zhao, Zhen (zhaozh) (Mon Aug 25 2008 - 10:04:34 CDT)
- Re: AMBER: pmemd iwrap trouble Robert Duke (Mon Aug 25 2008 - 10:45:03 CDT)
- Re: AMBER: pmemd iwrap trouble Carlos Simmerling (Mon Aug 25 2008 - 11:35:53 CDT)
- Re: AMBER: Vlimit Exceeded and inhomogeneous system !!!!!! Piyush Wanjari (Mon Aug 25 2008 - 14:52:37 CDT)
- Re: AMBER: PDB files in Amber10 Scott Brozell (Mon Aug 25 2008 - 16:32:16 CDT)
- Re: AMBER: Vlimit Exceeded and inhomogeneous system !!!!!! Piyush Wanjari (Mon Aug 25 2008 - 17:00:33 CDT)
- Re: AMBER: pmemd iwrap trouble Lars Skjærven (Mon Aug 25 2008 - 17:03:14 CDT)
- Re: AMBER: pmemd iwrap trouble Robert Duke (Mon Aug 25 2008 - 22:38:13 CDT)
- Re: AMBER: pmemd iwrap trouble Robert Duke (Mon Aug 25 2008 - 23:22:44 CDT)
- Re: AMBER: pmemd iwrap trouble Robert Duke (Mon Aug 25 2008 - 23:38:40 CDT)
- AMBER: tan luo radii Jacopo Sgrignani (Tue Aug 26 2008 - 04:06:39 CDT)
- AMBER: installation amber on suse11.0 selami ercan (Tue Aug 26 2008 - 05:57:12 CDT)
- AMBER: Querry dipti lele (Tue Aug 26 2008 - 06:50:32 CDT)
- AMBER: Bennett acceptance ratio with Amber10 Samuel Genheden (a03samge) (Tue Aug 26 2008 - 06:58:13 CDT)
- Re: AMBER: Bennett acceptance ratio with Amber10 steinbrt_at_scripps.edu (Tue Aug 26 2008 - 08:45:55 CDT)
- AMBER: latest update on residuegen Junmei Wang (Tue Aug 26 2008 - 08:55:09 CDT)
- Re: AMBER: Querry Carlos Simmerling (Tue Aug 26 2008 - 09:09:25 CDT)
- Re: AMBER: pmemd iwrap trouble Carlos Simmerling (Tue Aug 26 2008 - 09:26:53 CDT)
- RE: AMBER: installation amber on suse11.0 Ross Walker (Tue Aug 26 2008 - 09:39:31 CDT)
- Re: AMBER: installation amber on suse11.0 Cenk \(Jenk\) Andac (Tue Aug 26 2008 - 09:40:30 CDT)
- Re: AMBER: installation amber on suse11.0 Maicon Sartin (Tue Aug 26 2008 - 09:52:01 CDT)
- Re: AMBER: vdw 6-9 potential fatima.chami_at_durham.ac.uk (Tue Aug 26 2008 - 11:03:55 CDT)
- Re: AMBER: pmemd iwrap trouble Lars Skjærven (Tue Aug 26 2008 - 11:23:31 CDT)
- Re: AMBER: pmemd iwrap trouble Thomas Cheatham III (Tue Aug 26 2008 - 11:48:04 CDT)
- Re: AMBER: pmemd iwrap trouble Carlos Simmerling (Tue Aug 26 2008 - 11:57:28 CDT)
- Re: AMBER: pmemd iwrap trouble Robert Duke (Tue Aug 26 2008 - 11:59:34 CDT)
- Re: AMBER: pmemd iwrap trouble Lars Skjærven (Tue Aug 26 2008 - 13:36:06 CDT)
- RE: AMBER: tan luo radii Ray Luo (Tue Aug 26 2008 - 14:12:57 CDT)
- AMBER: Source FIles of SANDER Maicon Sartin (Tue Aug 26 2008 - 14:17:39 CDT)
- Re: AMBER: Source FIles of SANDER Carlos Simmerling (Tue Aug 26 2008 - 14:20:40 CDT)
- AMBER: Source FIles of SANDER Maicon Sartin (Tue Aug 26 2008 - 14:17:39 CDT)
- Re: AMBER: Source FIles of SANDER Bill Ross (Tue Aug 26 2008 - 14:28:34 CDT)
- Re: AMBER: pmemd iwrap trouble Robert Duke (Tue Aug 26 2008 - 14:49:18 CDT)
- Re: AMBER: value of Pi in Amber Scott Brozell (Tue Aug 26 2008 - 17:07:49 CDT)
- AMBER: molecular structure Chih-Ying Lin (Tue Aug 26 2008 - 17:24:29 CDT)
- Re: AMBER: molecular structure Carlos Simmerling (Tue Aug 26 2008 - 17:32:51 CDT)
- RE: AMBER: united atom force field Ray Luo (Tue Aug 26 2008 - 18:11:47 CDT)
- Re: AMBER: Source FIles of SANDER Maicon Sartin (Tue Aug 26 2008 - 18:18:49 CDT)
- Re: AMBER: Source FIles of SANDER Carlos Simmerling (Tue Aug 26 2008 - 18:21:31 CDT)
- RE: AMBER: Source FIles of SANDER Ross Walker (Tue Aug 26 2008 - 18:57:55 CDT)
- Re: AMBER: pmemd iwrap trouble Robert Duke (Tue Aug 26 2008 - 22:17:29 CDT)
- AMBER: net charge Gigil Toton (Wed Aug 27 2008 - 00:03:19 CDT)
- RE: AMBER: Bennett acceptance ratio with Amber10 Samuel Genheden (a03samge) (Wed Aug 27 2008 - 01:04:28 CDT)
- AMBER: coordinate change of pdb structure using xleap Henrik Öberg (Wed Aug 27 2008 - 01:26:42 CDT)
- AMBER: constant ph (cpinutil file) shubhra srivastava (Wed Aug 27 2008 - 01:46:36 CDT)
- Re: AMBER: coordinate change of pdb structure using xleap saurabh agrawal (Wed Aug 27 2008 - 02:23:09 CDT)
- Re: AMBER: Querry dipti lele (Wed Aug 27 2008 - 04:00:46 CDT)
- AMBER: querry dipti lele (Wed Aug 27 2008 - 04:07:52 CDT)
- Re: AMBER: Source FIles of SANDER Maicon Sartin (Wed Aug 27 2008 - 07:47:47 CDT)
- Re: AMBER: Querry Carlos Simmerling (Wed Aug 27 2008 - 08:20:55 CDT)
- Re: AMBER: pmemd iwrap trouble Carlos Simmerling (Wed Aug 27 2008 - 08:26:54 CDT)
- Re: AMBER: Querry dipti lele (Wed Aug 27 2008 - 08:33:45 CDT)
- AMBER: MM-PBSA multiple trajectory problem Carra, Claudio (JSC-SK)[USRA] (Wed Aug 27 2008 - 09:16:38 CDT)
- RE: AMBER: Bennett acceptance ratio with Amber10 steinbrt_at_scripps.edu (Wed Aug 27 2008 - 11:28:13 CDT)
- Re: AMBER: installation amber on suse11.0 selami ercan (Wed Aug 27 2008 - 13:50:13 CDT)
- Re: AMBER: respgen -a charge groups function ineffective unless Junmei Wang (Wed Aug 27 2008 - 15:55:47 CDT)
- AMBER: Re: Dell 2 Quad Core System Performance Ilyas Yildirim (Wed Aug 27 2008 - 16:04:14 CDT)
- Re: AMBER: Re: Dell 2 Quad Core System Performance Carlos Simmerling (Wed Aug 27 2008 - 17:15:42 CDT)
- RE: AMBER: Re: Dell 2 Quad Core System Performance Ross Walker (Wed Aug 27 2008 - 18:01:59 CDT)
- AMBER: Is there a way to cluster frames of a trajectory? Sasha Buzko (Wed Aug 27 2008 - 19:45:01 CDT)
- Re: AMBER: Is there a way to cluster frames of a trajectory? Carlos Simmerling (Wed Aug 27 2008 - 19:58:27 CDT)
- Re: AMBER: Is there a way to cluster frames of a trajectory? Adrian Roitberg (Wed Aug 27 2008 - 19:56:08 CDT)
- Re: AMBER: Is there a way to cluster frames of a trajectory? Sasha Buzko (Wed Aug 27 2008 - 19:57:07 CDT)
- AMBER: solvent interaction in active site Hakkim Boy (Wed Aug 27 2008 - 21:41:24 CDT)
- AMBER: Membrane simulations priya priya (Thu Aug 28 2008 - 03:31:57 CDT)
- AMBER: to understand how frcmod.ff99SB works Alan (Thu Aug 28 2008 - 05:29:18 CDT)
- Re: AMBER: pmemd iwrap trouble Lars Skjærven (Thu Aug 28 2008 - 05:38:02 CDT)
- AMBER: output file format in SANDER.MPI & PMEMD fatima.chami_at_durham.ac.uk (Thu Aug 28 2008 - 05:47:17 CDT)
- Re: AMBER: output file format in SANDER.MPI & PMEMD Robert Duke (Thu Aug 28 2008 - 07:34:44 CDT)
- Re: AMBER: output file format in SANDER.MPI & PMEMD fatima.chami_at_durham.ac.uk (Thu Aug 28 2008 - 07:53:42 CDT)
- Re: AMBER: to understand how frcmod.ff99SB works Melinda Layten (Thu Aug 28 2008 - 09:55:40 CDT)
- AMBER: Critical patch for pmemd 10 extra points code Robert Duke (Thu Aug 28 2008 - 10:20:59 CDT)
- AMBER: RE: Personal favor Ross Walker (Thu Aug 28 2008 - 11:39:59 CDT)
- RE: AMBER: to understand how frcmod.ff99SB works Ross Walker (Thu Aug 28 2008 - 11:59:09 CDT)
- RE: AMBER: output file format in SANDER.MPI & PMEMD Ross Walker (Thu Aug 28 2008 - 12:09:38 CDT)
- Re: AMBER: to understand how frcmod.ff99SB works Alan (Thu Aug 28 2008 - 13:36:55 CDT)
- AMBER: conversion from crd to netcdf returns almost identical file! Jose Borreguero (Thu Aug 28 2008 - 15:38:50 CDT)
- Re: AMBER: pmemd iwrap trouble Thomas Cheatham III (Thu Aug 28 2008 - 16:47:51 CDT)
- Re: AMBER: pmemd iwrap trouble Robert Duke (Thu Aug 28 2008 - 17:05:05 CDT)
- AMBER: xleap fails to savemol2 taufik.alsarraj_at_utoronto.ca (Thu Aug 28 2008 - 17:43:07 CDT)
- RE: AMBER: to understand how frcmod.ff99SB works Ilyas Yildirim (Thu Aug 28 2008 - 16:58:03 CDT)
- Re: AMBER: xleap fails to savemol2 FyD (Thu Aug 28 2008 - 23:58:08 CDT)
- AMBER: Problem in calculation of resp charges using RED III moitrayee_at_mbu.iisc.ernet.in (Fri Aug 29 2008 - 01:56:24 CDT)
- Re: AMBER: Problem in calculation of resp charges using RED III FyD (Fri Aug 29 2008 - 02:50:42 CDT)
- Re: AMBER: to understand how frcmod.ff99SB works Alan (Fri Aug 29 2008 - 04:00:01 CDT)
- Re: AMBER: Problem in calculation of resp charges using RED III moitrayee_at_mbu.iisc.ernet.in (Fri Aug 29 2008 - 06:41:21 CDT)
- Re: AMBER: Problem in calculation of resp charges using RED III FyD (Fri Aug 29 2008 - 10:19:23 CDT)
- RE: AMBER: to understand how frcmod.ff99SB works Ross Walker (Fri Aug 29 2008 - 10:17:27 CDT)
- Re: AMBER: xleap fails to savemol2 taufik.alsarraj_at_utoronto.ca (Fri Aug 29 2008 - 12:28:33 CDT)
- AMBER: Solvent Accesible Surface Area (SASA) - Confused Deepangi Pandit (Fri Aug 29 2008 - 13:45:19 CDT)
- AMBER: join two units in amber9 or amber10 taufik.alsarraj_at_utoronto.ca (Fri Aug 29 2008 - 16:17:58 CDT)
- Re: AMBER: xleap fails to savemol2 taufik.alsarraj_at_utoronto.ca (Fri Aug 29 2008 - 16:28:52 CDT)
- Re: AMBER: xleap fails to savemol2 FyD (Fri Aug 29 2008 - 16:14:42 CDT)
- AMBER: wrapping w/ ptraj Arturas Ziemys (Fri Aug 29 2008 - 16:57:52 CDT)
- Re: AMBER: xleap fails to savemol2 FyD (Sat Aug 30 2008 - 01:58:21 CDT)
- AMBER: compilation problem john smith (Sat Aug 30 2008 - 06:51:07 CDT)
- AMBER: vlimit exceeded Wang,Ying (Sat Aug 30 2008 - 10:49:03 CDT)
- RE: AMBER: compilation problem Ross Walker (Sat Aug 30 2008 - 13:33:13 CDT)
- RE: AMBER: vlimit exceeded Ross Walker (Sat Aug 30 2008 - 13:41:02 CDT)
- RE: AMBER: vlimit exceeded Wang,Ying (Sat Aug 30 2008 - 18:14:21 CDT)
- AMBER: RESP charges fitting for polarizable force fields Grange Hermitage (Sat Aug 30 2008 - 23:48:37 CDT)
- Re: AMBER: Critical patch for pmemd 10 extra points code Carlos Simmerling (Sun Aug 31 2008 - 08:54:33 CDT)
- Re: AMBER: Critical patch for pmemd 10 extra points code Robert Duke (Sun Aug 31 2008 - 11:48:56 CDT)
- AMBER: AMBER under cygwin on 64 bit Vista Charles Letner, Ph.D. (Sun Aug 31 2008 - 16:30:08 CDT)
Last message date: Wed Dec 31 2008 - 22:47:27 CST
Archived on: Thu Jan 08 2009 - 16:01:48 CST
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