Amber Archive Aug 2014: by messages with attachments

[AMBER] MM-PBSA ALA scanning module bharat lakhani (Fri Aug 01 2014 - 14:17:36 PDT)
1. FINAL_RESULTS_MMPBSA.dat (10900 bytes)
[AMBER] Potential Energy is positve for a normal ligand Sun (Mon Aug 04 2014 - 07:49:06 PDT)
1. ______4.png (7782 bytes)
Re: [AMBER] Metal parametrization problem!! Pedro A. Baldera Aguayo (Tue Aug 05 2014 - 10:56:10 PDT)
1. 3PL1_large_respgen.bcl.log (22535 bytes)
2. 3PL1_large.bcl (3354 bytes)
Re: [AMBER] problem with chamber & vmd generated psf (line 2349 of file psfprm.F90) Marc van der Kamp (Wed Aug 06 2014 - 00:55:07 PDT)
1. test.tgz (5987 bytes)
[AMBER] SQM error while preparing ATP with antechamber Hirdesh Kumar (Wed Aug 06 2014 - 07:47:54 PDT)
1. ATP_H.pdb (2889 bytes)
2. sqm.out (4911 bytes)
Re: [AMBER] Cluster results Valentina Romano (Thu Aug 07 2014 - 01:34:00 PDT)
1. ptraj.out (5371 bytes)
Re: [AMBER] problem with chamber & vmd generated psf (line 2349 of file psfprm.F90) Marc van der Kamp (Thu Aug 07 2014 - 08:58:12 PDT)
1. test_cgenff.tgz (152568 bytes)
Re: [AMBER] problem with chamber & vmd generated psf (line 2349 of file psfprm.F90) Jason Swails (Tue Aug 12 2014 - 04:52:09 PDT)
1. test.parm7 (180561 bytes)
2. test.rst7 (31850 bytes)
[AMBER] Using polarized force field lead to large RMS in the second step of minimization 张冬冬 (Thu Aug 14 2014 - 02:23:13 PDT)
1. CMC32D8.tmp.JPG (36550 bytes)
2. CMC9B8B.tmp.JPG (36563 bytes)
3. CMC8F4E.tmp.JPG (33549 bytes)
[AMBER] Calculating lipid diffusion using mass weighted feature Vijay Manickam Achari (Tue Aug 19 2014 - 00:02:09 PDT)
1. maltoLyo12per-225ns-XY.png (24642 bytes)
[AMBER] Calculating lipid diffusion Vijyan Achari (Tue Aug 19 2014 - 19:07:36 PDT)
1. maltoLyo12per-225ns-XY.png (24642 bytes)
[AMBER] antechamber 闫玉娜 (Tue Aug 19 2014 - 19:31:10 PDT)
1. hem_h.pdb (6075 bytes)
Re: [AMBER] error ambpdb - Old style inpcrd file read Urszula Uciechowska (Wed Aug 20 2014 - 03:55:11 PDT)
1. MD.png (123415 bytes)
Re: [AMBER] Contacts Sourav Purohit (Wed Aug 20 2014 - 07:26:04 PDT)
1. 2192.dat (3825 bytes)
Re: [AMBER] antechamber 闫玉娜 (Thu Aug 21 2014 - 06:52:51 PDT)
1. hem.back.prep (6979 bytes)
2. hem.prep (6979 bytes)
[AMBER] Error in making and running xleap ammarah.ghaffar.comsats.edu.pk (Mon Aug 25 2014 - 02:25:46 PDT)
1. makeInstall_xleap (379157 bytes)
2. xleap_Binary.png (194588 bytes)
Re: [AMBER] MCPB and sidechain.bcl problem Chris Gao (Mon Aug 25 2014 - 20:32:23 PDT)
1. sidechain.tar (612864 bytes)
Re: [AMBER] Undocumented DSSP commands and torsional analysis Daniel Roe (Tue Aug 26 2014 - 10:33:01 PDT)
1. test.4.pdb (43504 bytes)
2. assign.4.dat (103 bytes)
[AMBER] antechamber error message 전선희 (Wed Aug 27 2014 - 20:02:13 PDT)
1. water.out (40646 bytes)

Amber Archive Aug 2014 by messages with attachments