Amber Archive Nov 2012: by messages with attachments

[AMBER] Problem related to the RMSD Sindrila Dutta banik (Sat Nov 03 2012 - 07:25:11 PDT)
1. Time_vs_RMSD_plot.doc (28672 bytes)
Re: [AMBER] pmemd cuda MPI and PBS_GPUFILE Jason Swails (Tue Nov 06 2012 - 07:50:52 PST)
1. wrapper (1832 bytes)
[AMBER] Image problems with IWRAP=1 Brown, Kyle (Tue Nov 06 2012 - 11:57:05 PST)
1. 1.png (11307 bytes)
2. R165.png (10635 bytes)
3. R400.png (11655 bytes)
Re: [AMBER] Image problems with IWRAP=1 Brown, Kyle (Tue Nov 06 2012 - 14:52:03 PST)
1. ccptraj_nwrms.png (12240 bytes)
2. ccptraj_R165.png (11818 bytes)
[AMBER] NAMD failed to read Amber parm file Sneha Menon (Wed Nov 07 2012 - 04:25:36 PST)
1. Files.zip (764725 bytes)
[AMBER] bond missing in phosphate group after antechamber run Krisztina Feher (Wed Nov 07 2012 - 11:00:38 PST)
1. THis_ver9.pdb (5286 bytes)
Re: [AMBER] Image problems with IWRAP=1 Daniel Roe (Wed Nov 07 2012 - 12:20:37 PST)
1. rmsd.jpg (21794 bytes)
Re: [AMBER] bond missing in phosphate group after antechamber run Krisztina Feher (Wed Nov 07 2012 - 13:55:48 PST)
1. THis.mol2 (5099 bytes)
2. THis.frcmod (1189 bytes)
Re: [AMBER] antechamber limitation on molecule size Yi An (Wed Nov 07 2012 - 19:07:40 PST)
1. LEC.pdb (19274 bytes)
[AMBER] genMetalFF.sh and getCharges.sh not exist Jia Xu (Wed Nov 07 2012 - 23:17:07 PST)
1. mtkinstall.log (148313 bytes)
2. mtkpp_config.log (9183 bytes)
Re: [AMBER] bond missing in phosphate group after antechamber run Krisztina Feher (Thu Nov 08 2012 - 05:27:04 PST)
1. THis_ver14.pdb (5286 bytes)
2. THis.mol2 (5126 bytes)
3. ATOMTYPE.INF (11013 bytes)
Re: [AMBER] bond missing in phosphate group after antechamber run Krisztina Feher (Thu Nov 08 2012 - 08:55:45 PST)
1. THis_ver15.pdb (5286 bytes)
2. THis.mol2 (5126 bytes)
3. ATOMTYPE.INF (11013 bytes)
Re: [AMBER] Antechamber and GTP Fernando Martín García (Fri Nov 16 2012 - 08:21:15 PST)
1. gtp_msd_clear.pdb (2592 bytes)
2. gtp_msd_clear_withH.pdb (3587 bytes)
[AMBER] Ligand appears broken after minimization Jitesh Doshi (Wed Nov 21 2012 - 01:49:15 PST)
1. lig_after_min.png (55772 bytes)
2. lig_before_min.png (40417 bytes)
Re: [AMBER] Porcupine_Plots_Script Jia Xu (Mon Nov 26 2012 - 10:18:07 PST)
1. PORCUPINE.tar.bz2 (12983 bytes)
[AMBER] postdoc RNA/DNA computations Jiri Sponer (Tue Nov 27 2012 - 04:50:23 PST)
1. anouncjsc.doc (32256 bytes)
[AMBER] The differences of MMPBSA calculations between AT1.5 andAT12, especially in PBSA solvation model. 徐见容 (Thu Nov 29 2012 - 19:05:52 PST)
1. MMPBSA_results.png (68277 bytes)
[AMBER] imaging issues during RMSF Sangeetha B (Fri Nov 30 2012 - 06:16:52 PST)
1. rmsf_with_imaging.jpg (84494 bytes)
2. rmsf_no_imaging.jpg (120306 bytes)

Amber Archive Nov 2012 by messages with attachments