AMBER Archive (2006) - Dec 2006 By Date

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Starting: Fri Dec 01 2006 - 04:26:51 CST
Ending: Sat Dec 30 2006 - 07:12:53 CST

AMBER: How to keep an hydrogen bond during an implicit MD calculation? a a (Fri Dec 01 2006 - 04:35:31 CST)
Re: AMBER: How to apply a force to some atom in a residues? a a (Fri Dec 01 2006 - 04:26:51 CST)
AMBER: Ions analysis with hbond, How can I specify an input for hbond to probe ions interactions? j j (Fri Dec 01 2006 - 04:51:06 CST)
Re: AMBER: How to keep an hydrogen bond during an implicit MD calculation? j j (Fri Dec 01 2006 - 04:59:59 CST)
AMBER: about the std of computational alanine scanning tongli (Fri Dec 01 2006 - 05:50:11 CST)
AMBER: question on protein folding simulation Noriaki Okimoto (Fri Dec 01 2006 - 06:01:27 CST)
AMBER: sander error about fortran Shuting Wei (Fri Dec 01 2006 - 09:58:25 CST)
AMBER: H-bond analysis (Ptraj) input file Esther Brugger (Fri Dec 01 2006 - 10:22:44 CST)
Re: AMBER: amber9 parralel compiling Nikola Trbovic (Fri Dec 01 2006 - 10:46:33 CST)
Re: AMBER: H-bond analysis (Ptraj) input file Thomas Cheatham (Fri Dec 01 2006 - 11:56:57 CST)
Re: AMBER: Ions analysis with hbond, How can I specify an input for hbond to probe ions interactions? Thomas Cheatham (Fri Dec 01 2006 - 11:53:50 CST)
Re: AMBER: H-bond analysis (Ptraj) Thomas Cheatham (Fri Dec 01 2006 - 12:00:05 CST)
RE: AMBER: question on protein folding simulation Yong Duan (Fri Dec 01 2006 - 12:32:58 CST)
Re: AMBER: H-bond analysis (Ptraj) Esther Brugger (Fri Dec 01 2006 - 13:01:25 CST)
Re: AMBER: amber9 parralel compiling Scott Brozell (Fri Dec 01 2006 - 13:40:54 CST)
Re: AMBER: question on protein folding simulation Fenghui Fan (Fri Dec 01 2006 - 13:56:06 CST)
Re: AMBER: Ions analysis with hbond, How can I specify an input for hbond to probe ions interactions? j j (Fri Dec 01 2006 - 14:28:24 CST)
Re: AMBER: MM-PBSA problem Varsha Goyal (Fri Dec 01 2006 - 15:35:27 CST)
AMBER: dihedral calculation problem Esther Brugger (Fri Dec 01 2006 - 15:39:23 CST)
RE: AMBER: MM-PBSA problem Ray Luo (Fri Dec 01 2006 - 15:51:52 CST)
Re: AMBER: Ions analysis with hbond, How can I specify an input for hbond to probe ions interactions? Thomas Cheatham (Fri Dec 01 2006 - 16:01:35 CST)
AMBER: Making sure that Amber jobs use Infiniband? Michael John Hanby (Fri Dec 01 2006 - 16:13:05 CST)
Re: AMBER: Making sure that Amber jobs use Infiniband? David A. Case (Fri Dec 01 2006 - 18:24:44 CST)
Re: AMBER: sander error about fortran Scott Brozell (Sat Dec 02 2006 - 01:10:03 CST)
Re: AMBER: MM-PBSA problem vanessa wai (Sat Dec 02 2006 - 03:11:18 CST)
Re: AMBER: MM-PBSA problem vanessa wai (Sat Dec 02 2006 - 03:08:15 CST)
AMBER: LogP Cenk Andac (Sat Dec 02 2006 - 04:44:06 CST)
AMBER: problem at the start of heating up (using extra-point) Rachel (Sat Dec 02 2006 - 09:29:09 CST)
RE: AMBER: MM-PBSA problem Ray Luo (Sat Dec 02 2006 - 09:55:46 CST)
AMBER: LEaP not recognising Phosphate group in TYR bertrand russell (Sat Dec 02 2006 - 10:41:23 CST)
Re: AMBER: problem at the start of heating up (using extra-point) Cenk Andac (Sat Dec 02 2006 - 11:32:50 CST)
Re: AMBER: LEaP not recognising Phosphate group in TYR David A. Case (Sat Dec 02 2006 - 11:52:44 CST)
AMBER: Problem with specifying NOSHAKEMASK Gobind Singh Bisht (Sun Dec 03 2006 - 04:42:01 CST)
Re: AMBER: Problem with specifying NOSHAKEMASK Carlos Simmerling (Sun Dec 03 2006 - 07:48:56 CST)
AMBER: bugfix mahdi fathi (Sun Dec 03 2006 - 09:17:42 CST)
Re: AMBER: Problem with specifying NOSHAKEMASK Gobind Singh Bisht (Sun Dec 03 2006 - 09:26:27 CST)
Re: AMBER: bugfix Ye Mei (Sun Dec 03 2006 - 09:38:40 CST)
Re: AMBER: problem at the start of heating up (using extra-point) David A. Case (Sun Dec 03 2006 - 16:04:25 CST)
Re: AMBER: Problem with specifying NOSHAKEMASK David A. Case (Sun Dec 03 2006 - 16:06:10 CST)
Re: AMBER: MM-PBSA problem vanessa wai (Sun Dec 03 2006 - 19:52:25 CST)
AMBER: About the creation of 1-4 pairs in AMBER program J. Zhang (Sun Dec 03 2006 - 20:17:02 CST)
AMBER: The VDW correctioin J. Zhang (Sun Dec 03 2006 - 20:29:28 CST)
Re: AMBER: question on protein folding simulation Noriaki Okimoto (Sun Dec 03 2006 - 20:51:17 CST)
Re: AMBER: question on protein folding simulation Noriaki Okimoto (Sun Dec 03 2006 - 20:43:11 CST)
Re: AMBER: Problem with specifying NOSHAKEMASK Gobind Singh Bisht (Sun Dec 03 2006 - 21:11:57 CST)
AMBER: xleap problems anna.schrey_at_gmx.de (Mon Dec 04 2006 - 05:45:07 CST)
Re: AMBER: question on protein folding simulation Carlos Simmerling (Mon Dec 04 2006 - 06:32:16 CST)
Re: AMBER: Ions analysis with hbond, How can I specify an input for hbond to probe ions interactions? j j (Mon Dec 04 2006 - 06:56:54 CST)
Re: AMBER: xleap problems Cenk Andac (Mon Dec 04 2006 - 09:46:34 CST)
AMBER: how to include EXTRA POINTS in AMBER8 Rachel (Mon Dec 04 2006 - 09:59:34 CST)
Re: AMBER: xleap problems David A. Case (Mon Dec 04 2006 - 10:26:20 CST)
Re: AMBER: how to include EXTRA POINTS in AMBER8 David A. Case (Mon Dec 04 2006 - 10:23:15 CST)
Re: AMBER: Problem with specifying NOSHAKEMASK David A. Case (Mon Dec 04 2006 - 10:33:02 CST)
Re: AMBER: how to include EXTRA POINTS in AMBER8 Rachel (Mon Dec 04 2006 - 11:03:11 CST)
Re: AMBER: sander error about fortran Shuting Wei (Mon Dec 04 2006 - 11:02:52 CST)
AMBER: Is there anyway to recover the LISTOUT obtained after running a md with nmr restrictions j j (Mon Dec 04 2006 - 11:10:26 CST)
Re: AMBER: phantom sander8 in dmesg Lachele Foley (Lists) (Mon Dec 04 2006 - 11:21:12 CST)
Re: AMBER: Is there anyway to recover the LISTOUT obtained after running a md with nmr restrictions David A. Case (Mon Dec 04 2006 - 11:45:11 CST)
Re: AMBER: how to include EXTRA POINTS in AMBER8 Rachel (Mon Dec 04 2006 - 12:35:08 CST)
Re: AMBER: question on protein folding simulation Gustavo Seabra (Mon Dec 04 2006 - 12:31:54 CST)
AMBER: ptraj vector corrplane bug Myunggi Yi (Mon Dec 04 2006 - 14:49:46 CST)
Re: AMBER: sander error about fortran Scott Brozell (Mon Dec 04 2006 - 15:26:52 CST)
Re: AMBER: Is there anyway to recover the LISTOUT obtained after running a md with nmr restrictions j j (Mon Dec 04 2006 - 16:28:14 CST)
AMBER: Zn2+ and Ca2+ ions explicitly treated in MMPB/GB/SA Piotr Cieplak (Mon Dec 04 2006 - 18:20:02 CST)
AMBER: AMBER parallel run bombs Rahaman, Asif (Mon Dec 04 2006 - 18:29:53 CST)
Re: AMBER: question on protein folding simulation Fenghui Fan (Mon Dec 04 2006 - 18:47:32 CST)
Re: AMBER: AMBER parallel run bombs Michael Crowley (Mon Dec 04 2006 - 19:41:32 CST)
Re: AMBER: Problem with specifying NOSHAKEMASK Gobind Singh Bisht (Mon Dec 04 2006 - 22:26:16 CST)
AMBER: MD with restraint (nmropt=1) a a (Tue Dec 05 2006 - 02:11:38 CST)
AMBER: A BUG report, "ptraj corrplane" Myunggi Yi (Tue Dec 05 2006 - 11:42:08 CST)
RE: AMBER: MM-PBSA problem Ray Luo (Tue Dec 05 2006 - 13:16:32 CST)
RE: AMBER: question on protein folding simulation Yong Duan (Tue Dec 05 2006 - 13:57:45 CST)
Re: AMBER: MD with restraint (nmropt=1) David A. Case (Tue Dec 05 2006 - 15:24:37 CST)
Re: AMBER: MM-PBSA problem vanessa wai (Tue Dec 05 2006 - 19:33:35 CST)
Re: AMBER: MD with restraint (nmropt=1) a a (Wed Dec 06 2006 - 00:11:59 CST)
AMBER: nonplanarity of NH2 groups laura zanet (Wed Dec 06 2006 - 09:48:33 CST)
Re: AMBER: MD with restraint (nmropt=1) David A. Case (Wed Dec 06 2006 - 09:59:43 CST)
AMBER: perturbed and unperturbed charges Rachel (Wed Dec 06 2006 - 11:24:24 CST)
Re: AMBER: perturbed and unperturbed charges David A. Case (Wed Dec 06 2006 - 12:22:37 CST)
AMBER: parameter definitions Ed Pate (Wed Dec 06 2006 - 12:27:15 CST)
Re: AMBER: parameter definitions David A. Case (Wed Dec 06 2006 - 13:00:34 CST)
AMBER: setBox with buffer in leap Steven Winfield (Wed Dec 06 2006 - 13:05:22 CST)
AMBER: Amber9 failure to compile parallel on Rocks 4.2.1 system Michael John Hanby (Wed Dec 06 2006 - 15:26:11 CST)
RE: AMBER: Amber9 failure to compile parallel on Rocks 4.2.1 system Ross Walker (Wed Dec 06 2006 - 16:48:51 CST)
AMBER: ibelly not work JunJun Liu (Wed Dec 06 2006 - 17:22:34 CST)
RE: AMBER: ibelly not work Ross Walker (Wed Dec 06 2006 - 18:07:45 CST)
AMBER: setBox with buffer in leap Steven Winfield (Wed Dec 06 2006 - 18:43:58 CST)
AMBER: How could I simulate lipid membrane with AMBER9.0? ²ÜÈ½ (Wed Dec 06 2006 - 19:02:55 CST)
AMBER: What's going wrong when I use antechamber dealing with lipid molecular? ²ÜÈ½ (Wed Dec 06 2006 - 19:05:55 CST)
Re: AMBER: How could I simulate lipid membrane with AMBER9.0? Fenghui Fan (Wed Dec 06 2006 - 20:49:09 CST)
Re: AMBER: What's going wrong when I use antechamber dealing with lipid molecular? Fenghui Fan (Wed Dec 06 2006 - 20:51:41 CST)
Re: AMBER: MD with restraint (nmropt=1) a a (Wed Dec 06 2006 - 22:48:32 CST)
Re: AMBER: MD with restraint (nmropt=1) Thomas Cheatham (Wed Dec 06 2006 - 23:14:56 CST)
Re: AMBER: how to include EXTRA POINTS in AMBER8 David A. Case (Thu Dec 07 2006 - 00:14:44 CST)
AMBER: PMEMD scaling Tiziano Tuccinardi (Thu Dec 07 2006 - 02:46:49 CST)
Re: AMBER: LEaP not recognising Phosphate group in TYR bertrand russell (Thu Dec 07 2006 - 04:39:46 CST)
AMBER: Installing Amber 9 on Mac Pro Burkhard Heil (Thu Dec 07 2006 - 04:54:00 CST)
Re: AMBER: question on protein folding simulation Noriaki Okimoto (Thu Dec 07 2006 - 06:25:51 CST)
RE: AMBER: ibelly not work Andy Purkiss-Trew (Thu Dec 07 2006 - 06:33:24 CST)
Re: AMBER: Installing Amber 9 on Mac Pro Mathy Froeyen (Thu Dec 07 2006 - 06:54:48 CST)
Re: AMBER: PMEMD scaling Robert Duke (Thu Dec 07 2006 - 08:17:46 CST)
Re: AMBER: LEaP not recognising Phosphate group in TYR David A. Case (Thu Dec 07 2006 - 11:06:17 CST)
RE: AMBER: Problem about dummy atoms when running antechamber Junmei Wang (Thu Dec 07 2006 - 11:14:58 CST)
Re: AMBER: nonplanarity of NH2 groups FyD (Thu Dec 07 2006 - 11:17:54 CST)
Re: AMBER: nonplanarity of NH2 groups Jiri Sponer (Thu Dec 07 2006 - 11:37:52 CST)
AMBER: MD with positional and NMR restraints Mike Summers (Thu Dec 07 2006 - 14:46:26 CST)
AMBER: DRMS setting for Nmode calculation Shuting Wei (Thu Dec 07 2006 - 14:46:54 CST)
Re: AMBER: MD with positional and NMR restraints David A. Case (Thu Dec 07 2006 - 15:51:53 CST)
Re: AMBER: MD with positional and NMR restraints Mike Summers (Thu Dec 07 2006 - 17:34:07 CST)
Re: AMBER: MD with positional and NMR restraints David A. Case (Thu Dec 07 2006 - 17:54:33 CST)
AMBER: Simulating proteins with calcium ion Qing Zhang (Thu Dec 07 2006 - 18:15:42 CST)
Re: AMBER: problem of the REMD with nmr constraints wenfei Li (Thu Dec 07 2006 - 18:55:04 CST)
Re: AMBER: How could I simulate lipid membrane with AMBER9.0? ²ÜÈ½ (Thu Dec 07 2006 - 19:46:44 CST)
Re: AMBER: Simulating proteins with calcium ion Fenghui Fan (Thu Dec 07 2006 - 19:56:02 CST)
Re: AMBER: Simulating proteins with calcium ion Thomas Cheatham (Thu Dec 07 2006 - 21:23:26 CST)
AMBER: Error message in methane solvent system Atsutoshi Okabe (Thu Dec 07 2006 - 21:19:04 CST)
AMBER: atome type error Steve Seibold (Fri Dec 08 2006 - 09:08:35 CST)
RE: AMBER: atome type error Ross Walker (Fri Dec 08 2006 - 09:51:29 CST)
AMBER: Atom Type problem Steve Seibold (Fri Dec 08 2006 - 10:01:23 CST)
AMBER: Atom Type problem Steve Seibold (Fri Dec 08 2006 - 10:04:29 CST)
RE: AMBER: Atom Type problem Ross Walker (Fri Dec 08 2006 - 10:21:19 CST)
Re: AMBER: Error message in methane solvent system David A. Case (Fri Dec 08 2006 - 10:41:49 CST)
RE: AMBER: Atom Type problem Steve Seibold (Fri Dec 08 2006 - 12:09:05 CST)
AMBER: Compiling Amber 9 on SGI with gcc Shin, John Y CONTRACTOR WRAIR-Wash DC (Fri Dec 08 2006 - 12:46:32 CST)
AMBER: RDC refinement Lee, Young-Tae (Fri Dec 08 2006 - 14:50:42 CST)
AMBER: description of prep file Piotr Cieplak (Fri Dec 08 2006 - 16:28:29 CST)
Re: AMBER: description of prep file David A. Case (Fri Dec 08 2006 - 16:52:30 CST)
AMBER: dihedral angle problem Esther Brugger (Fri Dec 08 2006 - 16:53:32 CST)
Re: AMBER: dihedral angle problem David A. Case (Fri Dec 08 2006 - 17:47:39 CST)
Re: AMBER: RDC refinement David A. Case (Fri Dec 08 2006 - 17:52:11 CST)
Re: AMBER: Simulating proteins with calcium ion Qing Zhang (Fri Dec 08 2006 - 18:31:02 CST)
Re: AMBER: dihedral angle problem Esther Brugger (Fri Dec 08 2006 - 19:00:48 CST)
Re: AMBER: dihedral angle problem David A. Case (Fri Dec 08 2006 - 20:10:36 CST)
Re: AMBER: Compiling Amber 9 on SGI with gcc Scott Brozell (Fri Dec 08 2006 - 21:29:15 CST)
Re: AMBER: Compiling Amber 9 on SGI with gcc David A. Case (Sat Dec 09 2006 - 10:55:20 CST)
AMBER: Amber9 Parallel compiled with -lam, how to run test.parallel? Michael John Hanby (Sun Dec 10 2006 - 14:09:34 CST)
Re: AMBER: Amber9 Parallel compiled with -lam, how to run test.parallel? David A. Case (Sun Dec 10 2006 - 18:34:15 CST)
Re: AMBER: A BUG report, "ptraj corrplane" Myunggi Yi (Sun Dec 10 2006 - 19:32:22 CST)
RE: AMBER: Amber9 Parallel compiled with -lam, how to run test.parallel? Michael John Hanby (Sun Dec 10 2006 - 21:31:57 CST)
AMBER: General Question about Abmer Sanya Kryklia (Mon Dec 11 2006 - 08:23:11 CST)
Re: AMBER: General Question about Abmer M. L. Dodson (Mon Dec 11 2006 - 08:34:45 CST)
AMBER: addition of subroutine in pmemd module kakali sen (Mon Dec 11 2006 - 12:52:37 CST)
AMBER: Atoms overlapping Nitin Bhardwaj (Mon Dec 11 2006 - 13:43:44 CST)
Re: AMBER: Atoms overlapping David A. Case (Mon Dec 11 2006 - 14:08:58 CST)
Re: AMBER: Atoms overlapping Nitin Bhardwaj (Mon Dec 11 2006 - 14:48:53 CST)
AMBER: Building Parameters Steve Seibold (Mon Dec 11 2006 - 15:29:15 CST)
Re: AMBER: Atoms overlapping Thomas Steinbrecher (Mon Dec 11 2006 - 16:11:47 CST)
AMBER: Coodinates not being unique Nitin Bhardwaj (Mon Dec 11 2006 - 18:50:41 CST)
Re: AMBER: Installing Amber 9 on Mac Pro Mengjuei Hsieh (Mon Dec 11 2006 - 19:52:07 CST)
AMBER: QM/MD energy conservation Evan Kelly (Mon Dec 11 2006 - 21:17:59 CST)
Re: AMBER: setBox with buffer in leap Scott Brozell (Mon Dec 11 2006 - 23:08:38 CST)
AMBER: LEaP problem bertrand russell (Mon Dec 11 2006 - 23:10:48 CST)
Re: AMBER: LEaP problem Bill Ross (Tue Dec 12 2006 - 00:24:33 CST)
Re: AMBER: LEaP problem Fenghui Fan (Tue Dec 12 2006 - 00:32:06 CST)
AMBER: ERROR: The PDB file is not in the working directory saurabh agrawal (Tue Dec 12 2006 - 05:39:39 CST)
Re: AMBER: ERROR: The PDB file is not in the working directory FyD (Tue Dec 12 2006 - 06:57:56 CST)
Re: AMBER: QM/MD energy conservation Gustavo Seabra (Tue Dec 12 2006 - 08:02:39 CST)
Re: AMBER: setBox with buffer in leap David A. Case (Tue Dec 12 2006 - 10:30:25 CST)
Re: AMBER: Simulating proteins with calcium ion Karen Callahan (Tue Dec 12 2006 - 13:19:49 CST)
AMBER: RDF problem Esther Brugger (Tue Dec 12 2006 - 13:45:14 CST)
Re: AMBER: Simulating proteins with calcium ion Bill Ross (Tue Dec 12 2006 - 13:47:48 CST)
Re: AMBER: Simulating proteins with calcium ion ÕÅÓÂ (Tue Dec 12 2006 - 18:25:03 CST)
Re: AMBER: How to run QM/MM simulation of DNA duplex bound with platinum moietes Chengwen Chen (Wed Dec 13 2006 - 01:01:03 CST)
AMBER: floating point assist faults on IA64 PMEMD 9 Jarrod Smith (Wed Dec 13 2006 - 12:42:06 CST)
AMBER: Unit 5 Error on OPEN: md.in Rachel (Wed Dec 13 2006 - 13:55:58 CST)
Re: AMBER: floating point assist faults on IA64 PMEMD 9 Robert Duke (Wed Dec 13 2006 - 14:22:23 CST)
Re: AMBER: floating point assist faults on IA64 PMEMD 9 Jarrod Smith (Wed Dec 13 2006 - 15:54:18 CST)
Re: AMBER: floating point assist faults on IA64 PMEMD 9 Jarrod Smith (Wed Dec 13 2006 - 16:13:29 CST)
Re: AMBER: floating point assist faults on IA64 PMEMD 9 Robert Duke (Wed Dec 13 2006 - 16:41:52 CST)
Re: AMBER: floating point assist faults on IA64 PMEMD 9 Jarrod Smith (Wed Dec 13 2006 - 17:32:36 CST)
AMBER: amber 9 installation problem Ed Pate (Wed Dec 13 2006 - 18:34:19 CST)
AMBER: coordinate out of bounds Miguel Ferreira (Wed Dec 13 2006 - 19:09:57 CST)
AMBER: ISTRNG or SALT in MM_PBSA Qizhi Cui (Wed Dec 13 2006 - 21:23:48 CST)
Re: AMBER: ERROR: The PDB file is not in the working directory saurabh agrawal (Thu Dec 14 2006 - 01:18:33 CST)
AMBER: Free energy perturbation in SANDER Yumi Nukusina (Thu Dec 14 2006 - 02:59:36 CST)
Re: AMBER: RESP charges of iron-porphyrin system Shin Tokumoto (Thu Dec 14 2006 - 03:31:13 CST)
Re: AMBER: Free energy perturbation in SANDER Sergey Samsonov (Thu Dec 14 2006 - 03:38:46 CST)
Re: AMBER: coordinate out of bounds j j (Thu Dec 14 2006 - 04:21:50 CST)
AMBER: parallel computation time vs serial computation time Cenk Andac (Thu Dec 14 2006 - 05:17:28 CST)
Re: AMBER: ERROR: The PDB file is not in the working directory saurabh agrawal (Thu Dec 14 2006 - 05:38:05 CST)
Re: AMBER: parallel computation time vs serial computation time Robert Duke (Thu Dec 14 2006 - 08:16:22 CST)
AMBER: Free energy perturbation in SANDER Chris Moth (Thu Dec 14 2006 - 08:21:11 CST)
AMBER: sander: cannot execute binary file Kailee (Thu Dec 14 2006 - 09:53:50 CST)
AMBER: Test Message Please Ignore Ross Walker (Thu Dec 14 2006 - 15:01:07 CST)
AMBER: Test Message Please Ignore. Ross Walker (Thu Dec 14 2006 - 15:01:07 CST)
AMBER: Can't compile PMEMD Michael John Hanby (Thu Dec 14 2006 - 15:47:15 CST)
RE: AMBER: sander: cannot execute binary file Michael John Hanby (Thu Dec 14 2006 - 15:52:23 CST)
Re: AMBER: Can't compile PMEMD Robert Duke (Thu Dec 14 2006 - 16:12:12 CST)
RE: AMBER: sander: cannot execute binary file Ross Walker (Thu Dec 14 2006 - 17:15:46 CST)
RE: AMBER: Can't compile PMEMD Michael John Hanby (Thu Dec 14 2006 - 17:13:47 CST)
Re: AMBER: Can't compile PMEMD Robert Duke (Thu Dec 14 2006 - 17:42:02 CST)
Re: AMBER: ERROR: The PDB file is not in the working directory FyD (Fri Dec 15 2006 - 02:21:21 CST)
AMBER: rdparm venditti2_at_unisi.it (Fri Dec 15 2006 - 10:08:17 CST)
Re: AMBER: sander: cannot execute binary file Kailee (Fri Dec 15 2006 - 11:25:21 CST)
Re: AMBER: sander: cannot execute binary file David A. Case (Fri Dec 15 2006 - 11:48:49 CST)
AMBER: AMBER - leap - problems with impose command Piotr Cieplak (Fri Dec 15 2006 - 12:18:06 CST)
AMBER: Is there a way to simulate a box of pure water with amber Li Su (Fri Dec 15 2006 - 12:28:12 CST)
RE: AMBER: Is there a way to simulate a box of pure water with amber Ross Walker (Fri Dec 15 2006 - 12:52:53 CST)
Re: AMBER: Is there a way to simulate a box of pure water with amber Bill Ross (Fri Dec 15 2006 - 13:06:49 CST)
AMBER: Solvating a bilayer Matthew Tessier (Fri Dec 15 2006 - 13:32:25 CST)
AMBER: Error in sysdepend.c? Shin, John Y CONTRACTOR WRAIR-Wash DC (Fri Dec 15 2006 - 13:44:50 CST)
Re: AMBER: Error in sysdepend.c? David A. Case (Fri Dec 15 2006 - 17:24:00 CST)
Re: AMBER: AMBER - leap - problems with impose command FyD (Sat Dec 16 2006 - 00:22:36 CST)
Re: AMBER: AMBER - leap - problems with impose command Piotr Cieplak (Sat Dec 16 2006 - 01:04:05 CST)
AMBER: Volume of ucell too big Atsutoshi Okabe (Sat Dec 16 2006 - 02:41:43 CST)
AMBER: How to make a movie with .crd files in VMD? bertrand russell (Sat Dec 16 2006 - 04:03:53 CST)
Re: AMBER: AMBER - leap - problems with impose command Ilyas Yildirim (Sat Dec 16 2006 - 05:17:22 CST)
Re: AMBER: How to make a movie with .crd files in VMD? Carlos Simmerling (Sat Dec 16 2006 - 07:22:04 CST)
Re: AMBER: How to make a movie with .crd files in VMD? bertrand russell (Sat Dec 16 2006 - 11:35:16 CST)
Re: AMBER: Unit 5 Error on OPEN: md.in Rachel (Sat Dec 16 2006 - 12:01:12 CST)
Re: AMBER: Unit 5 Error on OPEN: md.in Chris Moth (Sat Dec 16 2006 - 12:25:03 CST)
Re: AMBER: Unit 5 Error on OPEN: md.in Chris Moth (Sat Dec 16 2006 - 12:27:17 CST)
Re: AMBER: How to make a movie with .crd files in VMD? Nicolas Lux Fawzi (Sat Dec 16 2006 - 12:32:35 CST)
Re: AMBER: How to make a movie with .crd files in VMD? Chris Moth (Sat Dec 16 2006 - 12:35:13 CST)
Re: AMBER: Volume of ucell too big Nicolas Lux Fawzi (Sat Dec 16 2006 - 12:37:31 CST)
Re: AMBER: How to make a movie with .crd files in VMD? Carlos Simmerling (Sat Dec 16 2006 - 12:54:37 CST)
Re: AMBER: rdparm Thomas Cheatham (Sat Dec 16 2006 - 21:43:55 CST)
Re: AMBER: AMBER - leap - problems with impose command Piotr Cieplak (Sun Dec 17 2006 - 01:20:28 CST)
Re: AMBER: AMBER - leap - problems with impose command Ilyas Yildirim (Sun Dec 17 2006 - 02:45:13 CST)
AMBER: Amber 9 Leap install error A Box (Sun Dec 17 2006 - 22:06:52 CST)
Re: AMBER: Amber 9 Leap install error David A. Case (Sun Dec 17 2006 - 23:54:56 CST)
Re: AMBER: Is there a way to simulate a box of pure water with amber Sergey Samsonov (Mon Dec 18 2006 - 01:43:27 CST)
AMBER: (no subject) lily ferreira (Mon Dec 18 2006 - 02:14:44 CST)
AMBER: MM-PBSA Shozeb Haider (Mon Dec 18 2006 - 11:57:17 CST)
Re: AMBER: MM-PBSA Angelo (Mon Dec 18 2006 - 10:30:00 CST)
Re: AMBER: sander: cannot execute binary file Kailee (Mon Dec 18 2006 - 10:41:11 CST)
Re: AMBER: sander: cannot execute binary file Kailee (Mon Dec 18 2006 - 11:06:36 CST)
RE: AMBER: sander: cannot execute binary file Ross Walker (Mon Dec 18 2006 - 13:52:05 CST)
RE: AMBER: Error in sysdepend.c? Shin, John Y CONTRACTOR WRAIR-Wash DC (Mon Dec 18 2006 - 14:27:24 CST)
AMBER: RESP charge fitting for HFIP Mingfeng Yang (Mon Dec 18 2006 - 20:44:19 CST)
AMBER: sander ntc=2 ntf=1 Nicolas Lux Fawzi (Mon Dec 18 2006 - 21:10:42 CST)
Re: AMBER: RESP charge fitting for HFIP Raviprasad Aduri (Mon Dec 18 2006 - 21:46:05 CST)
Re: AMBER: RESP charge fitting for HFIP Mingfeng Yang (Tue Dec 19 2006 - 01:17:24 CST)
Re: AMBER: RESP charge fitting for HFIP FyD (Tue Dec 19 2006 - 01:44:05 CST)
Re: AMBER: sander ntc=2 ntf=1 Carlos Simmerling (Tue Dec 19 2006 - 05:39:38 CST)
AMBER: Frozen at Minimization Steve Seibold (Tue Dec 19 2006 - 08:18:21 CST)
Re: AMBER: Frozen at Minimization Chris Moth (Tue Dec 19 2006 - 09:01:16 CST)
Re: AMBER: rdparm Tim Meyer (Tue Dec 19 2006 - 09:22:45 CST)
Re: AMBER: sander: cannot execute binary file Kailee (Tue Dec 19 2006 - 10:13:48 CST)
AMBER: Parallelization method Jordi Camps (Tue Dec 19 2006 - 12:19:40 CST)
Re: AMBER: Parallelization method Robert Duke (Tue Dec 19 2006 - 12:29:09 CST)
Re: AMBER: Parallelization method Scott Brozell (Tue Dec 19 2006 - 12:58:07 CST)
RE: AMBER: Error in sysdepend.c? Scott Brozell (Tue Dec 19 2006 - 13:19:38 CST)
RE: AMBER: Error in sysdepend.c? Shin, John Y CONTRACTOR WRAIR-Wash DC (Tue Dec 19 2006 - 15:29:12 CST)
AMBER: Renumber residues in LEAP Akshay Patny (Tue Dec 19 2006 - 15:55:57 CST)
AMBER: charge problem in MM-PBSA linfu (Tue Dec 19 2006 - 19:53:52 CST)
AMBER: mixing GAFF and CHARMM Ravinder Abrol (Wed Dec 20 2006 - 01:09:08 CST)
Re: AMBER: RESP charge fitting for HFIP FyD (Wed Dec 20 2006 - 01:21:42 CST)
AMBER: Installation help - SGI Altix 350 bertrand russell (Wed Dec 20 2006 - 04:47:03 CST)
AMBER: Amber9 - openmpi? bertrand russell (Wed Dec 20 2006 - 05:22:37 CST)
Re: AMBER: Amber9 - openmpi? Robert Duke (Wed Dec 20 2006 - 07:23:10 CST)
AMBER: MM_PBSA lily ferreira (Wed Dec 20 2006 - 07:42:20 CST)
AMBER: MM_PBSA lily ferreira (Wed Dec 20 2006 - 07:46:00 CST)
AMBER: RED - help with installation / config Seth Lilavivat (Wed Dec 20 2006 - 09:18:49 CST)
Re: AMBER: Installation help - SGI Altix 350 Gustavo Seabra (Wed Dec 20 2006 - 09:31:01 CST)
Re: AMBER: Amber9 - openmpi? Gustavo Seabra (Wed Dec 20 2006 - 09:34:53 CST)
AMBER: RESP procedure for DMPC monomer Akshay Patny (Wed Dec 20 2006 - 10:04:00 CST)
RE: AMBER: Installation help - SGI Altix 350 Ross Walker (Wed Dec 20 2006 - 10:38:16 CST)
Re:AMBER: mixing GAFF and CHARMM ²ÜÈ½ (Wed Dec 20 2006 - 11:12:05 CST)
Re: AMBER: mixing GAFF and CHARMM Ravinder Abrol (Wed Dec 20 2006 - 11:38:23 CST)
RE: AMBER: mixing GAFF and CHARMM Akshay Patny (Wed Dec 20 2006 - 11:46:45 CST)
Re: AMBER: RESP charge fitting for HFIP Mingfeng Yang (Wed Dec 20 2006 - 12:31:53 CST)
Re: AMBER: mixing GAFF and CHARMM Christophe Guilbert (Wed Dec 20 2006 - 13:51:18 CST)
Re: AMBER: RESP procedure for DMPC monomer linfu (Wed Dec 20 2006 - 18:54:43 CST)
Re: AMBER: mixing GAFF and CHARMM Ravinder Abrol (Wed Dec 20 2006 - 18:58:36 CST)
Re: AMBER: Installation help - SGI Altix 350 bertrand russell (Wed Dec 20 2006 - 22:13:03 CST)
Re: AMBER: Amber9 - openmpi? bertrand russell (Wed Dec 20 2006 - 22:16:22 CST)
RE: AMBER: Installation help - SGI Altix 350 Ross Walker (Wed Dec 20 2006 - 22:36:10 CST)
Re: AMBER: Installation help - SGI Altix 350 bertrand russell (Wed Dec 20 2006 - 23:09:48 CST)
RE: AMBER: Installation help - SGI Altix 350 Ross Walker (Wed Dec 20 2006 - 23:30:53 CST)
Re: AMBER: RED - help with installation / config FyD (Thu Dec 21 2006 - 03:24:50 CST)
AMBER: Amber Input file from "qout", "resp.dat" saurabh agrawal (Thu Dec 21 2006 - 03:41:47 CST)
Re: AMBER: Amber Input file from "qout", "resp.dat" FyD (Thu Dec 21 2006 - 04:23:09 CST)
AMBER: Replica exchange rate in REMD Seongeun Yang (Thu Dec 21 2006 - 05:42:59 CST)
AMBER: tetrolic acid Russell Glavey (Thu Dec 21 2006 - 06:29:35 CST)
AMBER: xleap, generating prep file Seth Lilavivat (Thu Dec 21 2006 - 10:49:56 CST)
AMBER: EXTRA_PTS: frtype 2 Should not be here Kailee (Thu Dec 21 2006 - 12:26:31 CST)
AMBER: Sander--NMR refinement Esther Brugger (Thu Dec 21 2006 - 22:39:48 CST)
Re: AMBER: Installation help - SGI Altix 350 bertrand russell (Thu Dec 21 2006 - 23:51:48 CST)
AMBER: Nucgen Problem puneet kacker (Fri Dec 22 2006 - 02:06:41 CST)
AMBER: Compiling Amber8 with Sun HPC ClusterTools 5 Software Muhammad Naim Mohmad Rouyan (Fri Dec 22 2006 - 01:40:32 CST)
Re: AMBER: Nucgen Problem Navnit Kumar Mishra (Fri Dec 22 2006 - 03:55:26 CST)
Re: AMBER: Nucgen Problem Bill Ross (Fri Dec 22 2006 - 12:51:25 CST)
Re: AMBER: Simulating proteins with calcium ion Qing Zhang (Fri Dec 22 2006 - 13:32:43 CST)
AMBER: Problem with LEaP FyD (Fri Dec 22 2006 - 13:42:13 CST)
Re: AMBER: Simulating proteins with calcium ion Bill Ross (Fri Dec 22 2006 - 13:51:07 CST)
Re: AMBER: Simulating proteins with calcium ion Qing Zhang (Fri Dec 22 2006 - 14:17:05 CST)
Re: AMBER: Simulating proteins with calcium ion Qing Zhang (Fri Dec 22 2006 - 14:22:53 CST)
Re: AMBER: Simulating proteins with calcium ion Bill Ross (Fri Dec 22 2006 - 15:12:50 CST)
Re: AMBER: Simulating proteins with calcium ion ÕÅÓÂ (Fri Dec 22 2006 - 19:02:57 CST)
Re: AMBER: Installation help - SGI Altix 350 Gustavo Seabra (Fri Dec 22 2006 - 19:42:03 CST)
Re: AMBER: Simulating proteins with calcium ion Qing Zhang (Sat Dec 23 2006 - 01:26:11 CST)
Re: AMBER: Compiling Amber8 with Sun HPC ClusterTools 5 Software David A. Case (Sat Dec 23 2006 - 20:58:29 CST)
Re: AMBER: Renumber residues in LEAP David A. Case (Mon Dec 25 2006 - 16:11:34 CST)
Re: AMBER: MM_PBSA David A. Case (Mon Dec 25 2006 - 16:15:26 CST)
Re: AMBER: EXTRA_PTS: frtype 2 Should not be here David A. Case (Mon Dec 25 2006 - 16:32:11 CST)
AMBER: A problem with mm_pbsa vic_at_mail.nankai.edu.cn (Mon Dec 25 2006 - 19:41:41 CST)
Re: AMBER: Installation help - SGI Altix 350 bertrand russell (Tue Dec 26 2006 - 02:25:10 CST)
AMBER: .crd file bertrand russell (Tue Dec 26 2006 - 03:16:53 CST)
Re: AMBER: .crd file Fenghui Fan (Tue Dec 26 2006 - 10:17:33 CST)
AMBER: bad connectivity - more detail Seth Lilavivat (Tue Dec 26 2006 - 12:02:27 CST)
Re: AMBER: Sander--NMR refinement David A. Case (Tue Dec 26 2006 - 12:44:46 CST)
Re: AMBER: bad connectivity Fenghui Fan (Tue Dec 26 2006 - 11:33:57 CST)
AMBER: bad connectivity Seth Lilavivat (Tue Dec 26 2006 - 11:24:17 CST)
AMBER: G5 OSX serial compile error Kevin Kelliher (Tue Dec 26 2006 - 15:18:56 CST)
Re: AMBER: Installation help - SGI Altix 350 David A. Case (Tue Dec 26 2006 - 15:45:54 CST)
Re: AMBER: bad connectivity - more detail Fenghui Fan (Tue Dec 26 2006 - 22:19:41 CST)
Re: AMBER: bad connectivity - more detail Fenghui Fan (Wed Dec 27 2006 - 00:25:41 CST)
AMBER: Error compiling amber on parallel (MPICH) Muhammad Naim Mohmad Rouyan (Wed Dec 27 2006 - 00:35:47 CST)
Re: AMBER: bad connectivity - more detail Seth Lilavivat (Wed Dec 27 2006 - 10:26:14 CST)
Re: AMBER: Error compiling amber on parallel (MPICH) David A. Case (Wed Dec 27 2006 - 10:41:21 CST)
AMBER: recompiling bondtype.C Seth Lilavivat (Wed Dec 27 2006 - 10:49:32 CST)
Re: AMBER: bad connectivity - more detail David A. Case (Wed Dec 27 2006 - 10:52:41 CST)
Re: AMBER: bad connectivity - more detail Seth Lilavivat (Wed Dec 27 2006 - 11:44:29 CST)
Re: AMBER: recompiling bondtype.C David A. Case (Wed Dec 27 2006 - 12:30:10 CST)
Re: AMBER: bad connectivity - more detail David A. Case (Wed Dec 27 2006 - 12:31:58 CST)
Re: AMBER: bad connectivity - more detail Seth Lilavivat (Wed Dec 27 2006 - 13:42:42 CST)
AMBER: PMEMD and OpenMPI, anyone have config options? Michael John Hanby (Wed Dec 27 2006 - 14:04:50 CST)
AMBER: chirality.c line 121 Seth Lilavivat (Wed Dec 27 2006 - 15:43:56 CST)
Re: AMBER: chirality.c line 121 David A. Case (Wed Dec 27 2006 - 16:46:21 CST)
AMBER: PCA analysis Jardas sucuriba (Wed Dec 27 2006 - 23:04:41 CST)
Re: AMBER: G5 OSX serial compile error Mathy Froeyen (Thu Dec 28 2006 - 05:12:13 CST)
AMBER: tree name generated by tleap is different from the input PREP parameter file xiaoqin huang (Thu Dec 28 2006 - 10:48:14 CST)
AMBER: problems trying to modify Amber8 Ed Pate (Thu Dec 28 2006 - 16:41:33 CST)
AMBER: problems with Calcium ions treatment in GB run Piotr Cieplak (Thu Dec 28 2006 - 17:44:23 CST)
AMBER: tree name generated by tleap is different from the input PREP parameter file xiaoqin huang (Thu Dec 28 2006 - 18:53:39 CST)
AMBER: AMBER complile problem Chengwen Chen (Fri Dec 29 2006 - 01:41:21 CST)
Re: AMBER: AMBER complile problem David A. Case (Fri Dec 29 2006 - 01:51:49 CST)
Re: AMBER: problems with Calcium ions treatment in GB run David A. Case (Fri Dec 29 2006 - 01:56:25 CST)
Re: AMBER: bad connectivity - more detail David A. Case (Fri Dec 29 2006 - 02:15:16 CST)
AMBER: Simulated Annealing problem... sai vikram (Fri Dec 29 2006 - 04:33:50 CST)
Re: AMBER: Simulated Annealing problem... David A. Case (Fri Dec 29 2006 - 10:56:06 CST)
Re: AMBER: tree name generated by tleap is different from the input PREP parameter file Bill Ross (Fri Dec 29 2006 - 21:00:26 CST)
AMBER: RE: protein simulation using AMBER Ross Walker (Sat Dec 30 2006 - 00:51:09 CST)
Re: AMBER: Simulated Annealing problem... sai vikram (Sat Dec 30 2006 - 07:12:53 CST)

Last message date: Sat Dec 30 2006 - 07:20:23 CST
Archived on: Wed Feb 21 2007 - 22:44:16 CST

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