AMBER Archive (2006) - Mar 2006 By Thread

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Starting: Wed Mar 01 2006 - 01:49:57 CST
Ending: Fri Mar 31 2006 - 19:41:53 CST

RE: AMBER: generating parameters for the NADH analogue H4NAD Simon Whitehead (Thu Mar 02 2006 - 17:17:50 CST)
- RE: AMBER: generating parameters for the NADH analogue H4NAD Ross Walker (Thu Mar 02 2006 - 17:32:27 CST)

AMBER: from Wei Zhang: flight information Wei Zhang (Fri Mar 03 2006 - 12:45:59 CST)

Re: AMBER: dynamic memory allocation problem in nmode Cenk Andac (Sun Mar 19 2006 - 03:10:22 CST)

Re: AMBER: failed to save prm and xyz using ff96 Abd Ghani Abd Aziz (Wed Mar 01 2006 - 01:49:57 CST)
Re: AMBER: failed to save prm and xyz using ff96 Joseph Nachman (Wed Mar 01 2006 - 14:51:09 CST)
Re: AMBER: failed to save prm and xyz using ff96 Viktor Hornak (Wed Mar 01 2006 - 15:16:13 CST)
Re: AMBER: failed to save prm and xyz using ff96 Joseph Nachman (Wed Mar 01 2006 - 17:29:18 CST)

Re: AMBER: How to develop charge for my deprotonated glycine Jianzhong Liu (Fri Mar 03 2006 - 13:05:41 CST)
Re: AMBER: How to develop charge for my deprotonated glycine FyD (Sat Mar 04 2006 - 03:26:13 CST)
Re: AMBER: How to develop charge for my deprotonated glycine Jianzhong Liu (Sat Mar 04 2006 - 21:05:12 CST)

AMBER: install error biolabadmin_at_ibt.lt (Wed Mar 01 2006 - 05:13:12 CST)
- RE: AMBER: install error Ross Walker (Wed Mar 01 2006 - 10:08:24 CST)
  - Re: AMBER: install error biolabadmin_at_ibt.lt (Thu Mar 02 2006 - 06:48:17 CST)
AMBER: Nmode vs QM Freq Calculation Mark Williamson (Wed Mar 01 2006 - 05:28:57 CST)
- Re: AMBER: Nmode vs QM Freq Calculation David A. Case (Wed Mar 01 2006 - 12:54:12 CST)
AMBER: leap: syntax error when use source command Dmitry Osolodkin (Wed Mar 01 2006 - 06:27:47 CST)
- RE:AMBER: leap: syntax error when use source command Kateryna Miroshnychenko (Wed Mar 01 2006 - 06:58:22 CST)
AMBER: replica exchange hangs Peter Varnai (Wed Mar 01 2006 - 11:29:34 CST)
- Re: AMBER: replica exchange hangs Sergey Krishtal (Wed Mar 01 2006 - 12:15:46 CST)
  - Re: AMBER: replica exchange hangs Carlos Simmerling (Wed Mar 01 2006 - 12:37:04 CST)
    - Re: AMBER: replica exchange hangs Peter Varnai (Wed Mar 01 2006 - 12:56:21 CST)
- Re: AMBER: replica exchange hangs Carlos Simmerling (Wed Mar 01 2006 - 12:37:40 CST)
AMBER: GAFF + AM1BCC & small-molecule aggregation Scott P Brown (Wed Mar 01 2006 - 14:00:33 CST)
- Re: AMBER: GAFF + AM1BCC & small-molecule aggregation Thomas E. Cheatham, III (Wed Mar 01 2006 - 15:17:35 CST)
  - Re: AMBER: GAFF + AM1BCC & small-molecule aggregation Carlos Simmerling (Wed Mar 01 2006 - 15:34:06 CST)
    - Re: AMBER: GAFF + AM1BCC & small-molecule aggregation Carlos Simmerling (Wed Mar 01 2006 - 16:00:40 CST)
AMBER: N-H and C-H Residual Dipolar Coupling thenmalar (Wed Mar 01 2006 - 16:01:52 CST)
- Re: AMBER: N-H and C-H Residual Dipolar Coupling David A. Case (Wed Mar 01 2006 - 16:38:09 CST)
  - Re: AMBER: N-H and C-H Residual Dipolar Coupling thenmalar (Wed Mar 01 2006 - 18:59:34 CST)
AMBER: Amber 9. Sergey Krishtal (Wed Mar 01 2006 - 21:37:02 CST)
- AMBER: G95, SGI and Amber8 Cenk Andac (Fri Mar 03 2006 - 01:30:44 CST)
- Re: AMBER: Amber 9. David A. Case (Fri Mar 03 2006 - 11:29:25 CST)
AMBER: Which PTRAJ distribution to use? Chng Choon-Peng (Thu Mar 02 2006 - 01:30:49 CST)
- Re: AMBER: Which PTRAJ distribution to use? Thomas Cheatham (Thu Mar 02 2006 - 17:47:51 CST)
  - Re: AMBER: Which PTRAJ distribution to use? Chng Choon-Peng (Thu Mar 02 2006 - 18:27:15 CST)
AMBER: amber8 and gfortran 4.1.0 Tru Huynh (Thu Mar 02 2006 - 10:00:00 CST)
- RE: AMBER: amber8 and gfortran 4.1.0 Ross Walker (Thu Mar 02 2006 - 10:17:49 CST)
  - Re: AMBER: amber8 and gfortran 4.1.0 Tru Huynh (Thu Mar 02 2006 - 11:57:59 CST)
    - Re: AMBER: amber8 and gfortran 4.1.0 David A. Case (Thu Mar 02 2006 - 12:07:05 CST)
- Re: AMBER: amber8 and gfortran 4.1.0 Andreas Svrcek-Seiler (Thu Mar 02 2006 - 10:35:16 CST)
  - Re: AMBER: amber8 and gfortran 4.1.0 Tru Huynh (Thu Mar 02 2006 - 11:55:10 CST)
AMBER: AMBER 8 VS AMBER 7 venditti2_at_unisi.it (Thu Mar 02 2006 - 13:54:47 CST)
- Re: AMBER: AMBER 8 VS AMBER 7 David A. Case (Thu Mar 02 2006 - 14:42:39 CST)
  - Re: AMBER: AMBER 8 VS AMBER 7 Carlos Simmerling (Thu Mar 02 2006 - 15:04:09 CST)
AMBER: about Br- parameters JAVIER PEREZ (Fri Mar 03 2006 - 04:18:23 CST)
- Re: AMBER: about Br- parameters Vitor Manuel Sousa F?x (Fri Mar 03 2006 - 04:28:40 CST)
  - Re: AMBER: about Br- parameters Shulin Zhuang (Fri Mar 03 2006 - 05:04:27 CST)
  - Re: AMBER: about Br- parameters Mathy Froeyen (Fri Mar 03 2006 - 08:38:42 CST)
    - Re: AMBER: about Br- parameters Vitor Manuel Sousa F?x (Fri Mar 03 2006 - 08:48:24 CST)
- Re: AMBER: about Br- parameters german (Fri Mar 03 2006 - 04:52:50 CST)
AMBER: sander restart problem Vlad Cojocaru (Sun Mar 05 2006 - 07:31:30 CST)
- Re: AMBER: sander restart problem Melinda Layten (Mon Mar 06 2006 - 11:35:01 CST)
AMBER: charge neutralization with GB Manish Datt (Sun Mar 05 2006 - 11:27:34 CST)
AMBER: ptraj:hbond question Yam (Sun Mar 05 2006 - 21:09:39 CST)
AMBER: how to calculate the RMSD and B-factor for all atoms of residue haixiao jin (Mon Mar 06 2006 - 02:13:04 CST)
- Re: AMBER: how to calculate the RMSD and B-factor for all atoms of residue Chng Choon-Peng (Mon Mar 06 2006 - 02:51:13 CST)
  - Re: AMBER: how to calculate the RMSD and B-factor for all atoms of residue haixiao jin (Tue Mar 07 2006 - 02:10:02 CST)
AMBER: the total energy is not converge as the cutoff increase thanyarat Udom (Mon Mar 06 2006 - 02:51:46 CST)
- Re: AMBER: the total energy is not converge as the cutoff increase Stefano Federico Massimiliano Pieraccini (Stefano.Pieraccini) (Mon Mar 06 2006 - 03:28:52 CST)
- Re: AMBER: the total energy is not converge as the cutoff increase Cenk Andac (Mon Mar 06 2006 - 07:28:04 CST)
- RE: AMBER: the total energy is not converge as the cutoff increase Ross Walker (Mon Mar 06 2006 - 09:39:51 CST)
  - RE: AMBER: the total energy is not converge as the cutoff increase thanyarat Udom (Tue Mar 07 2006 - 01:17:23 CST)
AMBER: How to patch the configure script (macosx) K. Yarem (Mon Mar 06 2006 - 09:40:58 CST)
- Re: AMBER: How to patch the configure script (macosx) David A. Case (Mon Mar 06 2006 - 12:25:16 CST)
  - AMBER: Problem taking the PDB to the Amber coordinates for calculations Brian Stupi (Mon Mar 06 2006 - 17:17:22 CST)
AMBER: Different results between serial and parallel runs in AMBER 8 Ilyas Yildirim (Mon Mar 06 2006 - 18:28:14 CST)
- Re: AMBER: Different results between serial and parallel runs in AMBER 8 Carlos Simmerling (Mon Mar 06 2006 - 18:33:14 CST)
  - Re: AMBER: Different results between serial and parallel runs in AMBER 8 Ilyas Yildirim (Tue Mar 07 2006 - 07:45:01 CST)
- Re: AMBER: Different results between serial and parallel runs in AMBER 8 David A. Case (Mon Mar 06 2006 - 20:05:31 CST)
  - Re: AMBER: Different results between serial and parallel runs in AMBER 8 Ilyas Yildirim (Tue Mar 07 2006 - 06:51:14 CST)
    - Re: AMBER: Different results between serial and parallel runs in AMBER 8 David A. Case (Tue Mar 07 2006 - 10:23:21 CST)
AMBER: rms processing A D (Mon Mar 06 2006 - 18:21:01 CST)
- Re: AMBER: rms processing Ilyas Yildirim (Mon Mar 06 2006 - 18:41:37 CST)
- Re: AMBER: rms processing Jianyin Shao (Mon Mar 20 2006 - 16:19:25 CST)
AMBER: h bond analysis Claire Zerafa (Mon Mar 06 2006 - 23:39:52 CST)
AMBER: Amber 8 under Solaris 9 compilation failed Dror (Tue Mar 07 2006 - 01:12:19 CST)
- Re: AMBER: Amber 8 under Solaris 9 compilation failed Scott Brozell (Mon Mar 27 2006 - 01:16:27 CST)
AMBER: Amber 8 under Solaris 9 compilation failed Dror (Tue Mar 07 2006 - 01:03:03 CST)
- Re: AMBER: Amber 8 under Solaris 9 compilation failed David A. Case (Tue Mar 07 2006 - 10:35:35 CST)
AMBER: ptraj: hbond analysis Yam (Tue Mar 07 2006 - 02:03:08 CST)
AMBER: Trouble with combining a non-standard residue with a protein of standard residue Nitin Bhardwaj (Tue Mar 07 2006 - 15:21:44 CST)
- Re: AMBER: Trouble with combining a non-standard residue with a protein of standard residue FyD (Wed Mar 08 2006 - 23:37:07 CST)
AMBER: question about solvatecap commander aini_at_umdnj.edu (Tue Mar 07 2006 - 20:46:41 CST)
- Re: AMBER: question about solvatecap commander David A. Case (Tue Mar 07 2006 - 21:32:12 CST)
- Re: AMBER: question about solvatecap commander mfyang (Tue Mar 07 2006 - 21:07:08 CST)
AMBER:molsurf: molsurf.c:1057: is_buried: Assertion `sarg1 >= 0.0' failed snowyowls (Wed Mar 08 2006 - 01:18:02 CST)
- Re: AMBER:molsurf: molsurf.c:1057: is_buried: Assertion `sarg1 >= 0.0' failed David A. Case (Wed Mar 08 2006 - 10:46:55 CST)
AMBER: NADP(H) parameters Simon Whitehead (Wed Mar 08 2006 - 04:06:45 CST)
- Re: AMBER: NADP(H) parameters David A. Case (Wed Mar 08 2006 - 10:26:04 CST)
AMBER: Dror (Wed Mar 08 2006 - 04:09:28 CST)
AMBER: converting .lib files Simon Whitehead (Wed Mar 08 2006 - 04:51:25 CST)
- Re: AMBER: converting .lib files David A. Case (Wed Mar 08 2006 - 10:06:38 CST)
AMBER: Cosine content calculation matteo filandri (Wed Mar 08 2006 - 09:59:58 CST)
- Re: AMBER: Cosine content calculation David A. Case (Wed Mar 08 2006 - 14:09:54 CST)
- Re: AMBER: Cosine content calculation matteo filandri (Thu Mar 09 2006 - 04:01:20 CST)
  - Re: AMBER: Cosine content calculation David A. Case (Thu Mar 09 2006 - 10:33:53 CST)
  - Re: AMBER: Cosine content calculation Hannes Loeffler (Thu Mar 09 2006 - 19:02:48 CST)
Re: AMBER: converting .lib files Bill Ross (Wed Mar 08 2006 - 10:30:17 CST)
AMBER: modeling a non-standard molecule. Nitin Bhardwaj (Wed Mar 08 2006 - 15:02:50 CST)
- Re: AMBER: modeling a non-standard molecule. Bill Ross (Wed Mar 08 2006 - 15:47:50 CST)
Re: AMBER: modeling a non-standard molecule. Bill Ross (Wed Mar 08 2006 - 15:19:21 CST)
- Re: AMBER: modeling a non-standard molecule. Nitin Bhardwaj (Wed Mar 08 2006 - 15:27:10 CST)
AMBER: aligning polymer with Z-axis of periodic box Kenley Barrett (Wed Mar 08 2006 - 15:59:18 CST)
- Re: AMBER: aligning polymer with Z-axis of periodic box Ilyas Yildirim (Wed Mar 08 2006 - 16:54:22 CST)
  - Re: AMBER: aligning polymer with Z-axis of periodic box Kenley Barrett (Wed Mar 08 2006 - 19:26:12 CST)
AMBER: bond parameters for positively charged guanidine group Ye Mei (Wed Mar 08 2006 - 20:54:15 CST)
- Re: AMBER: bond parameters for positively charged guanidine group Ilyas Yildirim (Thu Mar 09 2006 - 00:18:29 CST)
  - Re: Re: AMBER: bond parameters for positively charged guanidine group Ye Mei (Thu Mar 09 2006 - 00:35:51 CST)
AMBER: prepin format nkyx_at_sohu.com (Wed Mar 08 2006 - 21:18:15 CST)
- Re: AMBER: prepin format David A. Case (Fri Mar 10 2006 - 00:49:22 CST)
AMBER: CPU utilization with Parallel Sander Jingyuan Luke (Thu Mar 09 2006 - 06:14:01 CST)
- RE: AMBER: CPU utilization with Parallel Sander Ross Walker (Thu Mar 09 2006 - 10:23:08 CST)
- AMBER: Power Mac G5 Shuting Wei (Thu Mar 09 2006 - 17:32:44 CST)
  - Re: AMBER: Power Mac G5 David A. Case (Thu Mar 09 2006 - 18:14:54 CST)
AMBER: RE: hi & question Ross Walker (Thu Mar 09 2006 - 16:14:02 CST)
AMBER: Antechamber calculations Varsha Goyal (Fri Mar 10 2006 - 13:26:08 CST)
- Re: AMBER: Antechamber calculations Vitor Manuel Sousa F?x (Fri Mar 10 2006 - 14:03:53 CST)
  - Re: AMBER: Antechamber calculations Varsha Goyal (Fri Mar 10 2006 - 17:47:41 CST)
AMBER: error while running sander snoze pa (Fri Mar 10 2006 - 22:23:54 CST)
- Re: AMBER: error while running sander Thomas Cheatham (Fri Mar 10 2006 - 22:41:16 CST)
AMBER: Input conversion error. Sergey Krishtal (Sat Mar 11 2006 - 07:46:47 CST)
- Re: AMBER: Input conversion error. Carlos Simmerling (Sat Mar 11 2006 - 13:23:29 CST)
  - Re[2]: AMBER: Input conversion error. Sergey Krishtal (Mon Mar 13 2006 - 08:52:23 CST)
AMBER: divalent ions Ioana Cozmuta (Sat Mar 11 2006 - 13:04:00 CST)
AMBER: using MM_PBSA just for binding site, feasible ??? tonglei (Sun Mar 12 2006 - 00:53:44 CST)
AMBER: Suitable water box simon whitehead (Mon Mar 13 2006 - 06:07:48 CST)
- Re: AMBER: Suitable water box Jianzhong Liu (Mon Mar 13 2006 - 10:20:52 CST)
AMBER: amber 8 install problem qiwenpeng_at_sinap.ac.cn (Mon Mar 13 2006 - 07:22:01 CST)
- Re: AMBER: amber 8 install problem David A. Case (Mon Mar 13 2006 - 12:44:40 CST)
  - Re: AMBER: amber 8 install problem qiwenpeng_at_sinap.ac.cn (Wed Mar 15 2006 - 08:27:00 CST)
    - Re: AMBER: amber 8 install problem David A. Case (Wed Mar 15 2006 - 14:33:08 CST)
    - Re: AMBER: amber 8 install problem David A. Case (Wed Mar 15 2006 - 16:00:08 CST)
AMBER: Steve Seibold (Mon Mar 13 2006 - 08:17:41 CST)
- Re: AMBER: David A. Case (Mon Mar 13 2006 - 12:40:19 CST)
- Re: AMBER: Ilyas Yildirim (Mon Mar 13 2006 - 15:35:30 CST)
AMBER: NTT for production run snoze pa (Mon Mar 13 2006 - 12:03:32 CST)
- Re: AMBER: NTT for production run Vlad Cojocaru (Tue Mar 14 2006 - 02:44:35 CST)
  - AMBER: Xleap 64 bit installation problem Cenk Andac (Tue Mar 14 2006 - 05:37:18 CST)
    - Re: AMBER: Xleap 64 bit installation problem Andreas Svrcek-Seiler (Tue Mar 14 2006 - 06:16:47 CST)
    - Re: AMBER: Xleap 64 bit installation problem David A. Case (Tue Mar 14 2006 - 20:06:30 CST)
  - Re: AMBER: NTT for production run David A. Case (Tue Mar 14 2006 - 19:49:46 CST)
AMBER: nucgen error bala (Tue Mar 14 2006 - 09:35:11 CST)
Re: AMBER: nucgen error Bill Ross (Tue Mar 14 2006 - 11:06:16 CST)
AMBER: divalent ions Ioana Cozmuta (Tue Mar 14 2006 - 13:54:49 CST)
- Re: AMBER: divalent ions Thomas E. Cheatham, III (Tue Mar 14 2006 - 16:10:19 CST)
AMBER: quistions about pbsa cacultaion snowyowls (Tue Mar 14 2006 - 19:26:12 CST)
- Re: AMBER: quistions about pbsa cacultaion Ray Luo (Mon Mar 13 2006 - 01:26:53 CST)
  - Re: AMBER: quistions about pbsa cacultaion snowyowls (Tue Mar 14 2006 - 20:43:46 CST)
    - Re: AMBER: quistions about pbsa cacultaion Ray Luo (Wed Mar 15 2006 - 11:36:56 CST)
AMBER: k-space cutoff with standard Ewald Guowen (Wed Mar 15 2006 - 10:29:33 CST)
AMBER: mm-pbsa vorasit vongsutilers (Thu Mar 16 2006 - 09:34:33 CST)
- Re: AMBER: mm-pbsa Holger Gohlke (Thu Mar 16 2006 - 11:33:20 CST)
  - Re: AMBER: mm-pbsa vorasit vongsutilers (Fri Mar 17 2006 - 08:03:15 CST)
AMBER: faulty ambpdb compilation? Benjamin Juhl (Thu Mar 16 2006 - 12:16:12 CST)
- RE: AMBER: faulty ambpdb compilation? Ross Walker (Thu Mar 16 2006 - 12:44:23 CST)
  - Re: AMBER: faulty ambpdb compilation? Benjamin Juhl (Thu Mar 16 2006 - 12:51:47 CST)
AMBER: constant pH simulation Abhilash Mohan (Thu Mar 16 2006 - 13:14:47 CST)
- Re: AMBER: constant pH simulation John Mongan (Tue Mar 21 2006 - 17:51:53 CST)
AMBER: prep files for L-sugar residues Qizhi Cui (Fri Mar 17 2006 - 20:42:56 CST)
- AMBER: Ewald and ibelly Austin B. Yongye (Sun Mar 19 2006 - 10:36:53 CST)
  - Re: AMBER: Ewald and ibelly David A. Case (Mon Mar 20 2006 - 00:26:17 CST)
AMBER: emilia wu (Mon Mar 20 2006 - 06:38:17 CST)
- Re: AMBER: David A. Case (Tue Mar 21 2006 - 00:36:09 CST)
  - AMBER: MMPBSA alexandra.marques_at_fc.up.pt (Tue Mar 21 2006 - 03:58:35 CST)
AMBER: energy conservation in NVE ensemble (ntt=0, ntb=1) Vlad Cojocaru (Mon Mar 20 2006 - 10:40:37 CST)
AMBER: a challenge: a periodic box that cuts through a monomer Kenley Barrett (Mon Mar 20 2006 - 16:06:49 CST)
- Re: AMBER: a challenge: a periodic box that cuts through a monomer David A. Case (Tue Mar 21 2006 - 00:29:33 CST)
AMBER: anal: dihedral error renyanliang (Mon Mar 20 2006 - 19:27:39 CST)
- Re: AMBER: anal: dihedral error David A. Case (Sat Mar 25 2006 - 14:48:36 CST)
AMBER: heating system snoze pa (Tue Mar 21 2006 - 15:58:25 CST)
- RE: AMBER: heating system Ross Walker (Tue Mar 21 2006 - 17:09:28 CST)
  - Re: AMBER: heating system snoze pa (Tue Mar 21 2006 - 17:39:15 CST)
- RE: AMBER: heating system Ross Walker (Wed Mar 22 2006 - 10:58:12 CST)
- RE: AMBER: heating system Ross Walker (Fri Mar 24 2006 - 11:29:32 CST)
AMBER: About statistics results in MMPBSA_DC pair Àò ÕÅ (Wed Mar 22 2006 - 09:22:17 CST)
AMBER: Related to RESTRAINT_WT snoze pa (Wed Mar 22 2006 - 16:06:04 CST)
- Re: AMBER: Related to RESTRAINT_WT David A. Case (Wed Mar 22 2006 - 18:15:29 CST)
- Re: AMBER: Related to RESTRAINT_WT Chng Choon-Peng (Wed Mar 22 2006 - 18:16:13 CST)
AMBER: Solvating the system with specific number of water molecules... Ilyas Yildirim (Wed Mar 22 2006 - 23:50:25 CST)
AMBER: about atomic fluctuation & RMSF xueping (Thu Mar 23 2006 - 04:05:03 CST)
- Re: AMBER: about atomic fluctuation & RMSF Holger Gohlke (Thu Mar 23 2006 - 07:01:14 CST)
  - Re: AMBER: about atomic fluctuation & RMSF xueping (Sun Mar 26 2006 - 20:39:45 CST)
AMBER: question capping helix ends Zhuang (Thu Mar 23 2006 - 04:35:21 CST)
- Re: AMBER: question capping helix ends Vlad Cojocaru (Thu Mar 23 2006 - 04:48:14 CST)
AMBER: what is unit of the out put of mmpbsa caculation snowyowls (Thu Mar 23 2006 - 06:47:52 CST)
- Re: AMBER: what is unit of the out put of mmpbsa caculation Holger Gohlke (Thu Mar 23 2006 - 06:53:51 CST)
AMBER: Average pdb Claire Zerafa (Thu Mar 23 2006 - 15:17:33 CST)
- RE: AMBER: Average pdb John Jett (Thu Mar 23 2006 - 16:32:00 CST)
AMBER: question capping helix ends Zhuang (Thu Mar 23 2006 - 18:21:06 CST)
- Re: AMBER: question capping helix ends Cenk Andac (Fri Mar 24 2006 - 03:09:11 CST)
  - Re: AMBER: question capping helix ends Vlad Cojocaru (Fri Mar 24 2006 - 04:51:24 CST)
AMBER: Parmtop file: ANGLE_EQUIL_VALUE actually in radians? amanda.mccook_at_gatech.edu (Thu Mar 23 2006 - 22:32:39 CST)
- RE: AMBER: Parmtop file: ANGLE_EQUIL_VALUE actually in radians? Ross Walker (Thu Mar 23 2006 - 23:38:24 CST)
AMBER: negative values of PBSOL and PBCAL in mm_pbsa result tonglei (Sun Mar 26 2006 - 20:07:47 CST)
AMBER: temp control snoze pa (Sun Mar 26 2006 - 21:16:20 CST)
To dac --AMBER: anal: dihedral error Àò ÕÅ (Mon Mar 27 2006 - 00:43:22 CST)
AMBER: OSX 10.4 G4 xlf90 compilation errors K. Yarem (Mon Mar 27 2006 - 14:06:59 CST)
- Re: AMBER: OSX 10.4 G4 xlf90 compilation errors David Case (Mon Mar 27 2006 - 14:18:27 CST)
AMBER: How to give the specific pressure parameter for NTP=2 hbluo (Tue Mar 28 2006 - 11:29:48 CST)
AMBER: united atoms nadiav_at_soton.ac.uk (Tue Mar 28 2006 - 05:04:53 CST)
AMBER: amber8 error installation Abd Ghani Abd Aziz (Tue Mar 28 2006 - 09:14:59 CST)
- Re: AMBER: amber8 error installation Mark Williamson (Tue Mar 28 2006 - 09:23:28 CST)
  - Re: AMBER: amber8 error installation Abd Ghani Abd Aziz (Tue Mar 28 2006 - 09:44:42 CST)
Re: AMBER: united atoms Bill Ross (Tue Mar 28 2006 - 11:02:01 CST)
AMBER: hessian calculation sebnem (Tue Mar 28 2006 - 15:48:19 CST)
- Re: AMBER: hessian calculation David A. Case (Tue Mar 28 2006 - 17:52:14 CST)
  - Re: AMBER: hessian calculation sebnem_at_mercury.chem.pitt.edu (Tue Mar 28 2006 - 18:20:18 CST)
AMBER: AMBER : About the kinetic energy and temperature (GBSA model) James W (Tue Mar 28 2006 - 20:00:46 CST)
- Re: AMBER: AMBER : About the kinetic energy and temperature (GBSA model) David A. Case (Tue Mar 28 2006 - 20:13:44 CST)
- Fw: AMBER: AMBER : About the kinetic energy and temperature (GBSA model) James W (Tue Mar 28 2006 - 21:44:42 CST)
  - Re: Fw: AMBER: AMBER : About the kinetic energy and temperature (GBSA model) Thomas Cheatham (Tue Mar 28 2006 - 22:32:37 CST)
  - RE: AMBER: AMBER : About the kinetic energy and temperature (GBSA model) Ross Walker (Tue Mar 28 2006 - 22:35:03 CST)
AMBER: installation problem r. a. (Tue Mar 28 2006 - 21:21:50 CST)
- Re: AMBER: installation problem Mark Williamson (Tue Mar 28 2006 - 21:40:27 CST)
- Re: AMBER: installation problem Abd Ghani Abd Aziz (Tue Mar 28 2006 - 21:50:08 CST)
AMBER: Impropers definition egorov (Wed Mar 29 2006 - 00:06:40 CST)
- Re: AMBER: Impropers definition David A. Case (Wed Mar 29 2006 - 11:10:27 CST)
AMBER: Simulating a periodic crystal Jiang Jianwen (Wed Mar 29 2006 - 09:01:26 CST)
- Re: AMBER: Simulating a periodic crystal Thomas Cheatham (Wed Mar 29 2006 - 09:57:10 CST)
- RE: AMBER: Simulating a periodic crystal Jiang Jianwen (Fri Mar 31 2006 - 05:31:47 CST)
AMBER: Announcement: Amber 9 is now available David A. Case (Wed Mar 29 2006 - 10:43:59 CST)
- Re: AMBER: Announcement: Amber 9 is now available David E. Konerding (Fri Mar 31 2006 - 10:38:06 CST)
  - Re: AMBER: Announcement: Amber 9 is now available David A. Case (Fri Mar 31 2006 - 10:56:48 CST)
    - Re: AMBER: Announcement: Amber 9 is now available David A. Case (Fri Mar 31 2006 - 11:29:54 CST)
AMBER: Dimer Image Wrapping Melinda Layten (Wed Mar 29 2006 - 17:12:00 CST)
- Re: AMBER: Dimer Image Wrapping Scott Pendley (Thu Mar 30 2006 - 11:29:23 CST)
  - Re: AMBER: Dimer Image Wrapping Melinda Layten (Thu Mar 30 2006 - 12:16:06 CST)
AMBER: post-processing replica exchange trajectory Zhuang (Wed Mar 29 2006 - 17:57:43 CST)
AMBER: Problem with setbox command... Ilyas Yildirim (Thu Mar 30 2006 - 01:44:37 CST)
- Re: AMBER: Problem with setbox command... David A. Case (Thu Mar 30 2006 - 10:06:04 CST)
  - Re: AMBER: Problem with setbox command... Ilyas Yildirim (Fri Mar 31 2006 - 06:34:33 CST)
AMBER: charge constraints in resp Kenley Barrett (Thu Mar 30 2006 - 10:22:36 CST)
- Re: AMBER: charge constraints in resp Ilyas Yildirim (Thu Mar 30 2006 - 11:03:43 CST)
  - Re: AMBER: charge constraints in resp Kenley Barrett (Thu Mar 30 2006 - 13:46:49 CST)
    - Re: AMBER: charge constraints in resp Ilyas Yildirim (Thu Mar 30 2006 - 18:05:35 CST)
AMBER: Gromos to Amber Ann Vilan Tran (Thu Mar 30 2006 - 13:29:07 CST)
AMBER: LES error Claudia Steinert (Fri Mar 31 2006 - 01:59:36 CST)
AMBER: Ptraj & pca Claire Zerafa (Fri Mar 31 2006 - 08:23:05 CST)
AMBER: MMPBSA & PBCAL Rabal Gracia María Obdulia (Fri Mar 31 2006 - 09:37:57 CST)
AMBER: ptraj help - ERROR in readParm: ... failed to find CHARGE fine wu (Fri Mar 31 2006 - 16:09:36 CST)
- Re: AMBER: ptraj help - ERROR in readParm: ... failed to find CHARGE Thomas E. Cheatham, III (Fri Mar 31 2006 - 16:18:57 CST)
- Re: AMBER: ptraj help - ERROR in readParm: ... failed to find CHARGE Ilyas Yildirim (Fri Mar 31 2006 - 18:46:03 CST)
AMBER: chirality.c error in xleap Kenley Barrett (Fri Mar 31 2006 - 16:43:33 CST)
- Re: AMBER: chirality.c error in xleap David A. Case (Fri Mar 31 2006 - 19:41:53 CST)

Last message date: Sat Dec 30 2006 - 07:20:23 CST
Archived on: Wed Feb 21 2007 - 22:44:15 CST

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