Amber Archive Feb 2014 by messages with attachments

Re: [AMBER] optimise ligand geomatry before MD Nitin Sharma (Wed Feb 05 2014 - 09:14:42 PST)
1. complex.jpg (27322 bytes)
2. complex_SQM_overlap.jpg (37544 bytes)
3. ligand_mol2.jpg (31853 bytes)
4. ligand_sqm.jpg (26271 bytes)
5. original.jpg (21720 bytes)
Re: [AMBER] Converting Amoeba .xyz for use with Amber Jason Swails (Fri Feb 07 2014 - 11:57:57 PST)
1. oxyfiles.zip (63574 bytes)
Re: [AMBER] AMBER Digest, Vol 759, Issue 1 Arjun Sharma (Sat Feb 08 2014 - 15:15:02 PST)
1. out2min.p0 (37429 bytes)
Re: [AMBER] enquiry regarding latest Amber Ved Prakash (Mon Feb 10 2014 - 03:36:12 PST)
1. specifications-140210.docx (15512 bytes)
Re: [AMBER] enquiry regarding latest Amber Ved Prakash (Tue Feb 11 2014 - 04:35:02 PST)
1. specifications-140210.docx (15512 bytes)
[AMBER] FapydG parameters Norbert GARNIER (Tue Feb 11 2014 - 05:34:42 PST)
1. norbert_garnier.vcf (483 bytes)
[AMBER] Falling apart of membrane Gözde YALÇIN (Wed Feb 12 2014 - 05:24:57 PST)
1. image3.tif (548734 bytes)
[AMBER] The unperturbed charge of the unit Nitin Sharma (Thu Feb 13 2014 - 09:18:51 PST)
1. leap_log.log (34545 bytes)
2. ligand_mol2.mol2 (3586 bytes)
3. mopac.out (47595 bytes)
4. mopac.pdb (1870 bytes)
5. original_ligand.pdb (2904 bytes)
6. original_protein.pdb (99419 bytes)
Re: [AMBER] MM-PBSA problem almarques (Fri Feb 14 2014 - 11:28:18 PST)
1. MMpbsa.in__size_18944 (18944 bytes)
[AMBER] Postdoctoral position Fernando Martín García (Tue Feb 18 2014 - 08:30:00 PST)
1. CV_FMG.pdf (713657 bytes)
[AMBER] Fwd: Contact angle simulation of brine drop onto halite NaCl surface -different results between Amber11 and Amber12 Vu Truong (Wed Feb 19 2014 - 12:52:12 PST)
1. drop-Amber11-1.png (311862 bytes)
2. drop-Amber12-1.png (311862 bytes)
[AMBER] New bonds in PyMol? de Waal, Parker (Sun Feb 23 2014 - 20:37:02 PST)
1. vis.png (145957 bytes)
2. prod.png (81714 bytes)
3. SCH.mol2 (4857 bytes)
Re: [AMBER] ERROR in sidechain.bcl file in MCPB nalini chauhan (Mon Feb 24 2014 - 09:23:47 PST)
1. PROTEIN_sidechain.bcl (2964 bytes)
2. PROTEIN.pdb (134548 bytes)
[AMBER] Fwd: RE: ERROR in sidechain.bcl file in MCPB nalini chauhan (Mon Feb 24 2014 - 22:43:44 PST)
1. PROTEIN_sidechain.bcl (2964 bytes)
2. PROTEIN.pdb (134548 bytes)
Re: [AMBER] Falling apart of membrane Gözde YALÇIN (Tue Feb 25 2014 - 09:45:11 PST)
1. production-run.jpg (352840 bytes)
Re: [AMBER] MMPBSA.py.MPI hangs George Tzotzos (Tue Feb 25 2014 - 16:56:48 PST)
1. abort.zip (155070 bytes)
Re: [AMBER] MMPBSA.py.MPI hangs George Tzotzos (Wed Feb 26 2014 - 12:18:38 PST)
1. progress.log (1061 bytes)
2. _MMPBSA_complex_gb.mdout.3 (152425 bytes)
3. _MMPBSA_complex_gb.mdout.2 (154068 bytes)
[AMBER] Charged Ions Sticking Together Alexander Chiu (Wed Feb 26 2014 - 17:11:16 PST)
1. StickyIons.bmp (703878 bytes)
Re: [AMBER] MMPBSA.py.MPI hangs George Tzotzos (Thu Feb 27 2014 - 09:49:51 PST)
1. Archive.zip (692230 bytes)

Last message date: Mon Mar 03 2014 - 22:00:02 PST
Archived on: Fri Dec 20 2024 - 05:54:57 PST

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