Amber Archive Sep 2022 by messages with attachments

123 messages: Starting Thu Sep 01 2022 - 05:00:28 PDT, Ending Fri Sep 30 2022 - 18:00:03 PDT
This period: Most recent messages
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[AMBER] Calculation of dihedral angle using cpptraj in CpHMD simulation Dulal Mondal via AMBER (Thu Sep 01 2022 - 06:31:14 PDT)
1. cpptraj_dihedral_his64.png (24989 bytes)
[AMBER] Fwd: Failed TI heating simulation (RBFE) using Amber22 Pengfei Li via AMBER (Sun Sep 04 2022 - 18:59:56 PDT)
1. image.png (4828 bytes)
2. CodeSnippet_TI.png (158733 bytes)
3. heating.0.out.png (119772 bytes)
4. heating.1.out.png (145834 bytes)
5. heating.log.png (5101 bytes)
[AMBER] Test result of amber22 installation Dulal Mondal via AMBER (Mon Sep 05 2022 - 06:08:06 PDT)
1. 09-05_16-30-48.diff (21018 bytes)
2. 09-05_16-30-48.log (256225 bytes)
[AMBER] Fwd: AMBER 22 installation with CUDA support SATYAJIT KHATUA via AMBER (Mon Sep 05 2022 - 09:02:04 PDT)
1. 09-04_21-20-16.log (84794 bytes)
Re: [AMBER] Fwd: AMBER 22 installation with CUDA support SATYAJIT KHATUA via AMBER (Mon Sep 05 2022 - 10:09:58 PDT)
1. 175F5207362F41D9A1823F8AB78F795F.png (159 bytes)
Re: [AMBER] paramfit and EQM - EVDW-ELE(MM) energy difference Cenk Andac via AMBER (Wed Sep 07 2022 - 11:55:07 PDT)
1. image.png (9157 bytes)
[AMBER] interpreting paramfit results Cenk Andac via AMBER (Thu Sep 15 2022 - 13:41:11 PDT)
1. image.png (94279 bytes)
2. image.png (51314 bytes)
Re: [AMBER] any parameter settings in paramfit for a short restrained minimization before fitting? Cenk Andac via AMBER (Thu Sep 22 2022 - 15:33:18 PDT)
1. image.png (27787 bytes)