Amber Archive Apr 2026 by author

57 messages: Starting Wed Apr 01 2026 - 03:00:02 PDT, Ending Thu Apr 30 2026 - 12:30:02 PDT
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A R via AMBER
- [AMBER] QMMM (Amber24, gamess.2023.R1) (Sat Apr 11 2026 - 02:09:02 PDT)
- [AMBER] Please help fix this input file for qmmm (Amber24, GAMESS v2023) (Sat Apr 11 2026 - 01:32:13 PDT)
ABDELATIF MESSAOUDI via AMBER
- [AMBER] Help needed with MCPB.py for Ru complex (Fri Apr 03 2026 - 08:26:45 PDT)
Adrian Roitberg via AMBER
- Re: [AMBER] Question about QM/MM parallelization in sander.MPI (Wed Apr 29 2026 - 07:54:01 PDT)
- Re: [AMBER] Need help in proceeding with md sim (Fri Apr 24 2026 - 08:59:06 PDT)
- Re: [AMBER] Restart less efficient than Initial (Mon Apr 20 2026 - 10:54:03 PDT)
- Re: [AMBER] R: Question regarding the relaxation of a system and the use of HMR (Wed Apr 15 2026 - 11:15:17 PDT)
- Re: [AMBER] Question regarding the relaxation of a system and the use of HMR (Wed Apr 15 2026 - 06:30:29 PDT)
- Re: [AMBER] Question about steered MD parameters (Mon Apr 13 2026 - 11:12:36 PDT)
anu chandra via AMBER
- Re: [AMBER] Compilation Issues (Fri Apr 24 2026 - 09:04:48 PDT)
Baker, Joseph via AMBER
- Re: [AMBER] Question about steered MD parameters (Mon Apr 13 2026 - 10:46:33 PDT)
Beierlein, Frank via AMBER
- [AMBER] Compilation Issues (Thu Apr 23 2026 - 07:01:05 PDT)
Brent Krueger via AMBER
- Re: [AMBER] Installation issue - xray module (Sat Apr 04 2026 - 15:53:52 PDT)
Carmen Cerchia via AMBER
- [AMBER] help with non-canonical DNA backbone: 3'-3' and 5'-5' phosphodiester linkages (Wed Apr 08 2026 - 12:32:04 PDT)
Christina Bergonzo via AMBER
- Re: [AMBER] [EXTERN] Re: Need help in proceeding with md sim (Fri Apr 24 2026 - 10:06:12 PDT)
Christopher Jesudason via AMBER
- [AMBER] Unsubscribe (Sat Apr 11 2026 - 19:57:28 PDT)
- [AMBER] Unsubscribe (Sat Apr 11 2026 - 19:15:45 PDT)
David A Case via AMBER
- Re: [AMBER] [EXTERN] Re: Need help in proceeding with md sim (Fri Apr 24 2026 - 13:22:05 PDT)
- Re: [AMBER] PatchingError: using update_pmemd (Tue Apr 21 2026 - 07:25:49 PDT)
- Re: [AMBER] PhD defense milestone — Amber supported my research (Fri Apr 10 2026 - 20:15:22 PDT)
- Re: [AMBER] Restarting simulation error (Thu Apr 09 2026 - 09:20:35 PDT)
ElBagoury, Abdulrahman Walid Attia Ibrahim via AMBER
- [AMBER] How to check if the structure potential energies converged to better state ? (Mon Apr 27 2026 - 08:36:38 PDT)
- Re: [AMBER] [EXTERN] Re: Need help in proceeding with md sim (Sun Apr 26 2026 - 10:24:38 PDT)
- Re: [AMBER] [EXTERN] Re: Need help in proceeding with md sim (Fri Apr 24 2026 - 09:29:32 PDT)
- [AMBER] Need help in proceeding with md sim (Fri Apr 24 2026 - 08:05:39 PDT)
- [AMBER] Questions Regarding Structure Preparation and Protonation Errors for MD Simulation (Wed Apr 22 2026 - 04:50:09 PDT)
Frank Beierlein via AMBER
- Re: [AMBER] Compilation Issues (Tue Apr 28 2026 - 06:35:15 PDT)
Frederico Henrique Ferreira via AMBER
- Re: [AMBER] Installation issue - xray module (Mon Apr 06 2026 - 06:33:19 PDT)
- [AMBER] Installation issue - xray module (Sat Apr 04 2026 - 14:36:40 PDT)
Goetz, Andreas via AMBER
- Re: [AMBER] QMMM (Amber24, gamess.2023.R1) (Sat Apr 11 2026 - 16:19:41 PDT)
Harshini Karthikeyan via AMBER
- [AMBER] AMBER and P450 (Tue Apr 14 2026 - 14:08:15 PDT)
Kalandadze, Nino via AMBER
- [AMBER] TI simulation instability with truncated octahedron box (Mon Apr 06 2026 - 11:29:16 PDT)
Leung, Jeremy via AMBER
- Re: [AMBER] Miniforge fails during install + Fix (Thu Apr 30 2026 - 12:05:42 PDT)
- Re: [AMBER] Uasge of Nastruct command (Wed Apr 15 2026 - 08:33:30 PDT)
- Re: [AMBER] Uasge of Nastruct command (Tue Apr 14 2026 - 09:20:38 PDT)
Li, Zhen via AMBER
- Re: [AMBER] R: Question regarding the relaxation of a system and the use of HMR (Wed Apr 15 2026 - 10:45:01 PDT)
- Re: [AMBER] R: Question regarding the relaxation of a system and the use of HMR (Wed Apr 15 2026 - 10:41:44 PDT)
Maria Nagan via AMBER
- Re: [AMBER] AMBER and P450 (Tue Apr 14 2026 - 14:20:24 PDT)
Matt Thompson via AMBER
- Re: [AMBER] Compilation Issues (Thu Apr 23 2026 - 08:46:26 PDT)
Pedro Guillem via AMBER
- Re: [AMBER] [EXTERN] Re: Need help in proceeding with md sim (Fri Apr 24 2026 - 17:27:18 PDT)
Pengfei Li via AMBER
- Re: [AMBER] Possible caveats in using HMR with ZAFF modeling (Wed Apr 08 2026 - 19:24:59 PDT)
- Re: [AMBER] Help needed with MCPB.py for Ru complex (Wed Apr 08 2026 - 19:23:48 PDT)
Priyasha Majee via AMBER
- Re: [AMBER] Uasge of Nastruct command (Wed Apr 15 2026 - 04:59:27 PDT)
- [AMBER] Uasge of Nastruct command (Tue Apr 14 2026 - 04:06:27 PDT)
Rodrigo Galindo-Murillo via AMBER
- Re: [AMBER] Uasge of Nastruct command (Tue Apr 14 2026 - 06:11:52 PDT)
Sarah Witzke via AMBER
- Re: [AMBER] [EXTERN] Re: Ligand Prepartion (Wed Apr 01 2026 - 03:46:59 PDT)
saverio lemme via AMBER
- [AMBER] PatchingError: using update_pmemd (Mon Apr 20 2026 - 11:50:03 PDT)
- [AMBER] R: Question regarding the relaxation of a system and the use of HMR (Wed Apr 15 2026 - 07:33:49 PDT)
- [AMBER] R: Question regarding the relaxation of a system and the use of HMR (Wed Apr 15 2026 - 07:11:52 PDT)
- [AMBER] Question regarding the relaxation of a system and the use of HMR (Wed Apr 15 2026 - 03:04:53 PDT)
Stéphane Téletchéa via AMBER
- Re: [AMBER] [EXTERN] Re: Ligand Prepartion (Wed Apr 01 2026 - 02:51:01 PDT)
Thomas Cheatham via AMBER
- Re: [AMBER] [EXTERN] Re: Need help in proceeding with md sim (Fri Apr 24 2026 - 13:36:52 PDT)
Timothy Giese via AMBER
- Re: [AMBER] Question regarding the relaxation of a system and the use of HMR (Wed Apr 15 2026 - 07:09:14 PDT)
- Re: [AMBER] TI simulation instability with truncated octahedron box (Mon Apr 06 2026 - 11:59:16 PDT)
ULPG:Hickey.Niamh via AMBER
- [AMBER] Restart less efficient than Initial (Mon Apr 20 2026 - 08:44:02 PDT)
- [AMBER] Restarting simulation error (Thu Apr 09 2026 - 02:07:47 PDT)
张玮豪 via AMBER
- [AMBER] Question about QM/MM parallelization in sander.MPI (Wed Apr 29 2026 - 01:43:29 PDT)