Amber Archive Mar 2012 by messages with attachments

Re: [AMBER] Problem in creating topology of NAD Ashutosh Shandilya (Thu Mar 01 2012 - 22:55:25 PST)
1. nad.pdb (5756 bytes)
2. naddrg.frcmod (1329 bytes)
3. nadDRG.prepin (5801 bytes)
4. nad.libray (9546 bytes)
[AMBER] top and crd file error kanika sharma (Thu Mar 01 2012 - 22:59:03 PST)
1. 40_240.pdb (89439 bytes)
[AMBER] Distance plot Beale, John (Fri Mar 02 2012 - 05:57:35 PST)
1. image001.jpg (23871 bytes)
Re: [AMBER] ATP minimization Sangita Kachhap (Mon Mar 05 2012 - 21:58:33 PST)
1. atp.pdb (2511 bytes)
2. ATP3.mol2 (4571 bytes)
3. ATP3.frcmod (4101 bytes)
4. forcefieldtools-cofactors.off (4571 bytes)
[AMBER] SASA Plot Beale, John (Tue Mar 06 2012 - 03:08:06 PST)
1. image001.jpg (23871 bytes)
[AMBER] correct inconsistencies in [DR]NA_CI.lib Thomas Gaillard (Tue Mar 06 2012 - 08:57:36 PST)
1. DNA_RNA_CI.patch (68635 bytes)
Re: [AMBER] covert CHARMM format PDB file to AMBER formart case (Wed Mar 07 2012 - 05:09:19 PST)
1. fix_charmmpdb (443 bytes)
[AMBER] cpptraj surf Segmentation fault Guillermo Mulliert Carlín (Wed Mar 07 2012 - 07:51:07 PST)
1. cpptraj.output (1400 bytes)
[AMBER] NAB segmentation fault Michael F. Bruist (Thu Mar 08 2012 - 08:03:12 PST)
1. program_8.err (1684 bytes)
2. ATT00001..txt (437 bytes)
[AMBER] Amber11 Intel compiler version 12 make parallel fail Andrew Petersen (Fri Mar 09 2012 - 14:34:32 PST)
1. config.h (4641 bytes)
Re: [AMBER] NAB segmentation fault David A. Case (Sun Mar 11 2012 - 10:57:16 PDT)
1. program_8.nab (1816 bytes)
Re: [AMBER] NAB segmentation fault David A. Case (Tue Mar 13 2012 - 00:28:08 PDT)
1. cgrad.patch (1546 bytes)
[AMBER] The value of Delta G is positive after MMPBSA calculation for metalloprotein JiYuan Liu (Tue Mar 13 2012 - 20:02:24 PDT)
1. mmpbsa.in (138 bytes)
2. FINAL_RESULTS_MMPBSA.dat (11229 bytes)
[AMBER] Amber10 parallel installation test error Shaandar Nyamtulga (Wed Mar 14 2012 - 22:48:45 PDT)
1. gcg.dip.o (6812 bytes)
[AMBER] puting restrains Urszula Uciechowska (Thu Mar 15 2012 - 06:24:26 PDT)
1. COM.pdb (387215 bytes)
Re: [AMBER] PDB trajectory format Dmitry Osolodkin (Fri Mar 16 2012 - 09:11:26 PDT)
1. atommap.dat.gz (70792 bytes)
[AMBER] parameters for Lys-sugar Urszula Uciechowska (Fri Mar 23 2012 - 05:15:38 PDT)
1. Lys_sugar.mol2 (4285 bytes)
Re: [AMBER] parameters for Lys-sugar Urszula Uciechowska (Fri Mar 23 2012 - 08:26:19 PDT)
1. pep1_sugar.pdb (14804 bytes)
Re: [AMBER] atom type of Sulphur in CYS/CYM (MCPB) ashwini gupta (Sun Mar 25 2012 - 21:33:53 PDT)
1. metal_centre.mol (9123 bytes)
2. metal_centre0.xml (64839 bytes)
3. metal_centre2.xml (64783 bytes)
4. metal_centre1.xml (64805 bytes)
Re: [AMBER] parameters for Lys-sugar P2N file Urszula Uciechowska (Sun Mar 25 2012 - 23:52:33 PDT)
1. out.p2n (6308 bytes)
2. out.pdb (4380 bytes)
[AMBER] TUTORIAL A1: Protein that Contains Non-Standard Residues Bala subramanian (Mon Mar 26 2012 - 08:23:49 PDT)
1. leap.log1 (8062 bytes)
2. cua (1087 bytes)
Re: [AMBER] MP2 for RESP Ben Roberts (Mon Mar 26 2012 - 13:26:07 PDT)
1. smime.p7s (4373 bytes)
[AMBER] COM Olena Dobrovolska (Tue Mar 27 2012 - 08:01:27 PDT)
1. Grx.min.out (401051 bytes)
2. RST (187018 bytes)
[AMBER] Segmentation fault Agostino Bruno (Wed Mar 28 2012 - 08:33:15 PDT)
1. minimization.mdout (7272 bytes)
2. mdinfo (384 bytes)
Re: [AMBER] COM Olena Dobrovolska (Wed Mar 28 2012 - 08:40:02 PDT)
1. RST (182258 bytes)
2. Grx.dist (54765 bytes)
3. Grx_new.pdb (91982 bytes)
[AMBER] Problem with installation of MTKPP setyanto md (Wed Mar 28 2012 - 19:33:09 PDT)
1. from-configure-mtkpp.txt (9371 bytes)
[AMBER] Large Energy Jump in TMD simulation - Regarding Fredrick Devadoss (Fri Mar 30 2012 - 05:19:56 PDT)
1. tmd_C2O_enetot.pdf (78164 bytes)
Re: [AMBER] Large Energy Jump in TMD simulation - Regarding Fredrick Devadoss (Fri Mar 30 2012 - 11:06:02 PDT)
1. tmd_C2O_resene.pdf (73977 bytes)
2. tmd_C2O_rmsd.pdf (68059 bytes)

Last message date: Sat Mar 31 2012 - 23:30:03 PDT
Archived on: Mon Dec 23 2024 - 05:54:26 PST

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