Amber Archive Feb 2019 by messages with attachments

318 messages: Starting Fri Feb 01 2019 - 02:00:01 PST, Ending Thu Feb 28 2019 - 16:00:03 PST
This period: Most recent messages
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Re: [AMBER] QMMM differences between AMBER PM3 and Orca PM3 GiovanniMaria Piccini (Mon Feb 04 2019 - 02:46:21 PST)
1. 02-04_10-14-26.png (12427 bytes)
Re: [AMBER] mpi installation problem Prabir Khatua (Mon Feb 04 2019 - 09:06:12 PST)
1. fftw3_config.log (2440 bytes)
2. config.log (31224 bytes)
Re: [AMBER] mpi installation problem Prabir Khatua (Mon Feb 04 2019 - 09:21:32 PST)
1. netcdf_config.log (5453 bytes)
[AMBER] Wham analysis on amber18 (pmemd.cuda) output file mish (Tue Feb 05 2019 - 03:05:32 PST)
1. pmf.out (606 bytes)
2. histogram.png (127391 bytes)
Re: [AMBER] Wham analysis on amber18 (pmemd.cuda) output file mish (Tue Feb 05 2019 - 03:07:17 PST)
1. PMF.png (55611 bytes)
[AMBER] Creating PRMTOP and INPCRD in Amber 16 Fulbabu Sk (Wed Feb 06 2019 - 01:30:55 PST)
1. RU.mol2 (282 bytes)
2. FLL.in (161 bytes)
3. FLL.mol2 (6738 bytes)
4. FLL_new_renum.pdb (5026 bytes)
[AMBER] amber installation problem Rimon Riju (Fri Feb 08 2019 - 23:19:03 PST)
1. netcdf_config.log (23934 bytes)
[AMBER] Behavior of MSD at different collision frequency values Abdullah Bin Faheem (Mon Feb 11 2019 - 02:13:07 PST)
1. MSD_at_collision_frequency_of_1.png (23022 bytes)
2. MSD_at_collision_frequency_of_5.png (22238 bytes)
Re: [AMBER] chamber problem Prabir Khatua (Wed Feb 13 2019 - 10:31:03 PST)
1. error.log (7013 bytes)
[AMBER] Umbrella Sampling and WHAM analysis mish (Mon Feb 18 2019 - 03:29:31 PST)
1. image.png (92200 bytes)
[AMBER] Error and sudden halt in equilibration senal dinuka (Thu Feb 21 2019 - 03:00:00 PST)
1. mdin (296 bytes)
[AMBER] Dihedral Kb Value when IDIVF=1 Erdem Yeler (Fri Feb 22 2019 - 03:17:57 PST)
1. cobo.png (43515 bytes)
2. cobo_chart.png (17445 bytes)
[AMBER] Nothing returned in aMD simulation of membrane protein Meng Wu (Mon Feb 25 2019 - 21:42:52 PST)
1. aMD.out (10785 bytes)