Amber Archive May 2021 by messages with attachments

263 messages: Starting Fri Apr 30 2021 - 17:00:02 PDT, Ending Mon May 31 2021 - 21:00:02 PDT
This period: Most recent messages
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[AMBER] Questions about QM/MM simulations 马芳芳 (Wed May 05 2021 - 18:55:39 PDT)
1. WATER_counterions_NBO.zip (45930 bytes)
[AMBER] understanding DSSP outout Sadaf Rani (Thu May 06 2021 - 23:53:06 PDT)
1. wt_secstr.gnu.sum (49300 bytes)
[AMBER] MMGBSA using charmm36 force field-- positive value 周丽萍 (Sun May 16 2021 - 18:21:39 PDT)
1. final.dat (6709 bytes)
[AMBER] How do I generate prmtop file for system containing more than 1 ligand? Min Chiang Gary Ong (Wed May 19 2021 - 06:24:13 PDT)
1. asphaltene.pdb (9091 bytes)
2. asphaltene_dimer.pdb (18320 bytes)
Re: [AMBER] MULTI_RMSD NFE-Error : Cannot read &colvar namelist! Luis Simon (Sat May 29 2021 - 05:35:39 PDT)
1. smime.p7s (4459 bytes)
[AMBER] APR- Umbrella sampling of Receptor- ligand complex Rana Rehan Khalid (Sun May 30 2021 - 12:38:54 PDT)
1. 05-30_15-18-13.png (448803 bytes)
[AMBER] Error in pca analysis Sruthi Sudhakar (Mon May 31 2021 - 10:21:31 PDT)
1. pca.in (1988 bytes)