Amber Archive Jan 2016: by messages with attachments

[AMBER] Problems with tleap when generating gib structures Levan Tsereteli (Tue Jan 05 2016 - 03:36:32 PST)
1. tleap100sugarmono.txt (2899 bytes)
2. tleap200sugarmono.txt (5691 bytes)
[AMBER] Errors during Building Sidechain Model（MCPB program） 王远强 (Wed Jan 06 2016 - 20:38:31 PST)
1. TYRO_OH_fixed.bak.pdb (236925 bytes)
2. TYRO_OH_fixed.pdb (236925 bytes)
3. TYRO_OH_sidechain.bcl (3850 bytes)
4. TYRO_OH_sidechain.bcl.bk (3850 bytes)
Re: [AMBER] ligand topology genaration neha chaudhary (Wed Jan 06 2016 - 21:33:36 PST)
1. ligand.pdb (2938 bytes)
2. protein.pdb (363193 bytes)
3. ligand.pdb (370469 bytes)
Re: [AMBER] ligand topology genaration neha chaudhary (Thu Jan 07 2016 - 04:26:38 PST)
1. leap.log (380961 bytes)
[AMBER] exact values corresponding to the grid points in GIST calculations Mohan Pradhan (Sat Jan 09 2016 - 02:36:25 PST)
1. energy_contour.PNG (151621 bytes)
Re: [AMBER] MMPBSA Job Parallel Running Jason Swails (Wed Jan 13 2016 - 08:40:45 PST)
1. mmpbsa_mpi.patch (1601 bytes)
[AMBER] Parameter and coordinate files Stefano Sarao S215563 (Sat Jan 16 2016 - 11:12:47 PST)
1. pamam_half1.pdb__size_88792 (88792 bytes)
[AMBER] Fwd: High RMSD values due to use of iwrap richa anand (Tue Jan 19 2016 - 21:42:24 PST)
1. alpha_RMSD_B.ps (347592 bytes)
2. RMSD_C_Avg.in (160420 bytes)
[AMBER] problem with reduce and energy minimization Maryam Hamzehee (Wed Jan 20 2016 - 23:55:38 PST)
1. files.rar (313102 bytes)
[AMBER] MCPB.py error chemjxn (Thu Jan 21 2016 - 22:48:51 PST)
1. error.png (199563 bytes)
2. 2pou.in (136 bytes)
Re: [AMBER] How to put ACE and NME on the ends of a missing loop Vasantha Kumar (Fri Jan 22 2016 - 06:37:36 PST)
1. NME.pdb (410 bytes)
2. ACE.pdb (410 bytes)
3. NME.mol2 (685 bytes)
4. ACE.mol2 (685 bytes)
[AMBER] Dear All ankita mehta (Sat Jan 23 2016 - 06:49:59 PST)
1. 1.png (210188 bytes)
Re: [AMBER] KeyError - MCPB.py tutorial David Mayes (Mon Jan 25 2016 - 07:04:53 PST)
1. LIG.mol2 (2805 bytes)
2. nika.in (144 bytes)
3. nikaru_fixed_H.pdb (639252 bytes)
Re: [AMBER] KeyError - MCPB.py tutorial David Mayes (Tue Jan 26 2016 - 07:43:26 PST)
1. CL.mol2 (278 bytes)
2. CMO.mol2 (352 bytes)
3. FE.mol2 (277 bytes)
4. LIG.mol2 (2530 bytes)
5. nikaru_fixed_H.pdb (643302 bytes)
6. nika.in (180 bytes)
[AMBER] two elongated bonds while visualuizing prmtop and inprcd in vmd Nida Baig (Wed Jan 27 2016 - 03:05:38 PST)
1. Box_rstformat.png (138721 bytes)
2. protein_elongated.png (73788 bytes)
3. protein_pdb.png (129838 bytes)
4. waterbox_elongatedprotein.png (57988 bytes)

Amber Archive Jan 2016 by messages with attachments