Amber Archive Sep 2009: by messages with attachments

Re: [AMBER] ATP/GTP parameters wang (Mon Aug 31 2009 - 22:02:08 PDT)
1. c00jsw00.vcf (879 bytes)
2. ATT00002.txt (137 bytes)
Re: [AMBER] How to derive charges from the output bharat lakhani (Tue Sep 01 2009 - 01:46:12 PDT)
1. 1Z10_3_resp_at.ac (9985 bytes)
2. ATT00002.txt (137 bytes)
Re: [AMBER] How to remove Hydrogen using ptraj Thomas Cheatham III (Tue Sep 01 2009 - 08:55:43 PDT)
1. ATT00002.txt (137 bytes)
[AMBER] antechamber bug: output of incorrect bond character Matthew Walsh (Wed Sep 02 2009 - 11:37:44 PDT)
1. test.mol2 (6402 bytes)
2. ATT00002.txt (137 bytes)
Re: [AMBER] antechamber bug: output of incorrect bond character Matthew Walsh (Thu Sep 03 2009 - 08:15:00 PDT)
1. test.mol2 (6402 bytes)
2. out.mol2 (6579 bytes)
3. ATT00002.txt (137 bytes)
[AMBER] Problem about adding a small residue to DNA Yikan Chen (Thu Sep 03 2009 - 21:33:52 PDT)
1. 1X6W.pdb (24930 bytes)
2. ATT00002.txt (137 bytes)
Re: 回复： [AMBER] Problem about adding a small residue to DNA Yikan Chen (Fri Sep 04 2009 - 13:03:54 PDT)
1. H-ok-con.pdb (24930 bytes)
2. TMS_model_51.mol2 (5247 bytes)
3. ATT00002.txt (137 bytes)
Re: 回复： [AMBER] Problem about adding a small residue to DNA Yikan Chen (Fri Sep 04 2009 - 14:38:27 PDT)
1. frcmod (1259 bytes)
2. ATT00002.txt (137 bytes)
Re: 回复： [AMBER] Problem about adding a small residue to DNA Yikan Chen (Sun Sep 06 2009 - 08:47:04 PDT)
1. a.pdb (27719 bytes)
2. TMS.frcmod (1259 bytes)
3. TMS.prep (4481 bytes)
4. ATT00002.txt (137 bytes)
Re: [AMBER] loading PDB of a RNA sequence Carlos Simmerling (Tue Sep 08 2009 - 03:33:57 PDT)
1. ATT00002.txt (137 bytes)
[AMBER] loading a following attached protein in amber 10 albert albert (Tue Sep 08 2009 - 10:09:09 PDT)
1. pdb3brp.ent.gz (67709 bytes)
2. ATT00002.txt (137 bytes)
[AMBER] QMMM NEB with PM3-PDDG fails with ASSERTion 'ierr.eq.0' pimd_init.f line 320 Keith Van Nostrand (Tue Sep 08 2009 - 12:26:14 PDT)
1. small.tar (358400 bytes)
2. ATT00002.txt (137 bytes)
[AMBER] PBSA for gp41 binding free energy shuqing wang (Thu Sep 10 2009 - 23:42:59 PDT)
1. 3N.pdb (204948 bytes)
2. SFT.pdb (52569 bytes)
3. T20_statistics.out.txt (2125 bytes)
4. ATT00002.txt (137 bytes)
[AMBER] "nan" in gaussian input files generated by antechamber Yikan Chen (Fri Sep 11 2009 - 13:19:04 PDT)
1. TMS.mol2 (5247 bytes)
2. TMS.in (4397 bytes)
3. ATT00002.txt (137 bytes)
Re: [AMBER] DMF solvent box Abhishek Banerjee (Sun Sep 13 2009 - 07:24:04 PDT)
1. dmf.mol2 (1607 bytes)
2. 10-01590.pdf (213168 bytes)
3. ATT00002.txt (137 bytes)
[AMBER] How to prepare the coordinate and toplogy files in leap ? xuemeiwang1103 (Mon Sep 14 2009 - 02:03:59 PDT)
1. ATT00002.txt (137 bytes)
Re: [AMBER] DMF solvent box Abhishek Banerjee (Mon Sep 14 2009 - 06:18:30 PDT)
1. dmf.zip (30451 bytes)
2. ATT00002.txt (137 bytes)
[AMBER] makeDIST_RST: no map function Workalemahu Berhanu (Mon Sep 14 2009 - 12:30:15 PDT)
1. GNNQQNYMYR_gb_min.pdb (61934 bytes)
2. ATT00002.txt (137 bytes)
[AMBER] About the PMEMD compiling for CUDA wang (Tue Sep 15 2009 - 22:17:52 PDT)
1. c00jsw00.vcf (879 bytes)
RE: [AMBER] database Steve Seibold (Wed Sep 16 2009 - 09:11:47 PDT)
1. dCTP.pdb (2240 bytes)
2. dCTP2.mol2 (4641 bytes)
Re: [AMBER] DMF solvent box Abhishek Banerjee (Wed Sep 16 2009 - 23:15:53 PDT)
1. script1.ff (1378 bytes)
RE: [AMBER] database Steve Seibold (Thu Sep 17 2009 - 06:43:25 PDT)
1. dCTP2.mol2 (4548 bytes)
2. newdCTP2.pdb (2276 bytes)
3. leap.in (184 bytes)
RE: [AMBER] database Steve Seibold (Thu Sep 17 2009 - 12:46:20 PDT)
1. error (1566 bytes)
2. Comparison_newdCTP3.text (2491 bytes)
3. dCTP2.mol2 (4548 bytes)
4. newdCTP3.pdb (2216 bytes)
RE: [AMBER] database Steve Seibold (Fri Sep 18 2009 - 08:03:44 PDT)
1. newdCTP3.pdb (2216 bytes)
2. leap.in (211 bytes)
3. newCTP2.mol2 (4346 bytes)
Re: [AMBER] ambertools and Snow Leopard 64 bits kernel Tom Joseph (Tue Sep 22 2009 - 11:12:55 PDT)
1. a10_strcpy_fix.diff (940 bytes)
[AMBER] Parameter Problem manoj singh (Tue Sep 22 2009 - 12:35:53 PDT)
1. leap.inp (358 bytes)
[AMBER] Parameter Problem manoj singh (Tue Sep 22 2009 - 12:46:59 PDT)
1. files.rar (5062 bytes)
Re: [AMBER] Problem in test run Kshatresh Dutta Dubey (Tue Sep 29 2009 - 08:23:29 PDT)
1. conf_amber.log (655 bytes)
2. make_parallel.log (17152 bytes)

Amber Archive Sep 2009 by messages with attachments