Amber Archive Apr 2025 by author

38 messages: Starting Mon Mar 31 2025 - 17:30:02 PDT, Ending Mon Apr 21 2025 - 16:00:02 PDT
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Adrian Roitberg via AMBER
- Re: [AMBER] H-REX and bubles (Sun Apr 20 2025 - 14:41:02 PDT)
Anthony Dominic Iii via AMBER
- [AMBER] Mulliken charges from QM/MM/MD with QUICK (Tue Apr 08 2025 - 07:30:50 PDT)
Aravind Sankaran via AMBER
- [AMBER] Issues building AMBER24 with CUDA 12.6 (Tue Apr 01 2025 - 01:20:46 PDT)
Carlos Simmerling via AMBER
- Re: [AMBER] H-REX and bubles (Mon Apr 21 2025 - 15:43:11 PDT)
Cenk Andac via AMBER
- [AMBER] linking amber24 with plumed installed in a user path (Sat Apr 12 2025 - 14:17:02 PDT)
Daniel Roe via AMBER
- Re: [AMBER] [ 50%] Built target cpptraj_common_obj_mpi make: *** [Makefile:156: all] Error 2 (Thu Apr 17 2025 - 08:33:57 PDT)
- Re: [AMBER] Assistance Required with Custom Residue Bonding and Atom Naming in TCNitro Structure (Thu Apr 17 2025 - 06:39:50 PDT)
- Re: [AMBER] Assistance Required with Custom Residue Bonding and Atom Naming in TCNitro Structure (Thu Apr 17 2025 - 05:47:56 PDT)
- Re: [AMBER] [ 50%] Built target cpptraj_common_obj_mpi make: *** [Makefile:156: all] Error 2 (Thu Apr 17 2025 - 05:39:12 PDT)
David A Case via AMBER
- [AMBER] [Re: [ 50%] Built target cpptraj_common_obj_mpi make: *** [Makefile:156: all] Error 2] (Thu Apr 17 2025 - 17:37:15 PDT)
- [AMBER] [Re: PACKMOL‑Memgen with ff99SB‑ILDN] (Thu Apr 17 2025 - 17:37:52 PDT)
- Re: [AMBER] Inquiry about DNA Residue Nomenclature for Constant-pH MD in AMBER (Mon Apr 14 2025 - 10:48:12 PDT)
- Re: [AMBER] Issue with Atom Type Assignment for FRET Probes (tCo and tCNitro) using GAFF in Antechamber (Fri Apr 11 2025 - 09:42:24 PDT)
- Re: [AMBER] Parallel Tests after compilation (Tue Apr 08 2025 - 13:37:56 PDT)
- Re: [AMBER] Serial Tests after compilation (Tue Apr 08 2025 - 13:29:52 PDT)
- Re: [AMBER] Issues building AMBER24 with CUDA 12.6 (Tue Apr 01 2025 - 10:35:10 PDT)
- Re: [AMBER] MCPB Tutorial Ligand missing vdW and other parameters (Tue Apr 01 2025 - 07:49:54 PDT)
Evan Pretti via AMBER
- [AMBER] Missing CMAP entries in prmtop in multiple calls to sequence (Mon Mar 31 2025 - 17:11:44 PDT)
FyD via AMBER
- [AMBER] Parallel Tests after compilation (Tue Apr 08 2025 - 00:12:57 PDT)
- [AMBER] Serial Tests after compilation (Tue Apr 08 2025 - 00:11:29 PDT)
Goetz, Andreas via AMBER
- Re: [AMBER] Mulliken charges from QM/MM/MD with QUICK (Tue Apr 08 2025 - 11:57:36 PDT)
Ibrahim Said via AMBER
- [AMBER] make test.parallel (Mon Apr 14 2025 - 03:24:31 PDT)
- [AMBER] 3D-RISM failure and test.serial (Sat Apr 05 2025 - 14:27:40 PDT)
- [AMBER] make test.parallel (Tue Apr 01 2025 - 02:22:57 PDT)
Li, Zhen via AMBER
- Re: [AMBER] Fw: Request help: how manipulate the prmtop file to add exclusion force (Tue Apr 15 2025 - 05:23:19 PDT)
Marawan Hussien via AMBER
- [AMBER] PACKMOL‑Memgen with ff99SB‑ILDN (Tue Apr 15 2025 - 16:50:59 PDT)
Nil Mu via AMBER
- Re: [AMBER] Issues building AMBER24 with CUDA 12.6 (Tue Apr 01 2025 - 10:54:13 PDT)
ning via AMBER
- [AMBER] Request help: how manipulate the prmtop file to add exclusion force (Tue Apr 15 2025 - 04:09:45 PDT)
- [AMBER] Fw: Request help: how manipulate the prmtop file to add exclusion force (Tue Apr 15 2025 - 04:13:30 PDT)
Patricio Barletta via AMBER
- Re: [AMBER] Initial RTX5080 Numbers (David A Case) (Thu Apr 03 2025 - 15:51:48 PDT)
Rahul Singal via AMBER
- [AMBER] Assistance Required with Custom Residue Bonding and Atom Naming in TCNitro Structure (Thu Apr 17 2025 - 03:03:21 PDT)
- [AMBER] Issue with Atom Type Assignment for FRET Probes (tCo and tCNitro) using GAFF in Antechamber (Thu Apr 10 2025 - 10:28:23 PDT)
Russell Bertrand via AMBER
- [AMBER] [ 50%] Built target cpptraj_common_obj_mpi make: *** [Makefile:156: all] Error 2 (Thu Apr 17 2025 - 04:06:42 PDT)
SATYAJIT KHATUA via AMBER
- [AMBER] Installing AMBER24 on AMD GPUs (Fri Apr 11 2025 - 14:57:34 PDT)
Thomas C Bishop via AMBER
- Re: [AMBER] [EXT] Be alert for April Fools Day pranks (Tue Apr 01 2025 - 08:18:16 PDT)
VERONICA MARTIN HERNANDEZ via AMBER
- Re: [AMBER] H-REX and bubles (Fri Apr 18 2025 - 11:49:57 PDT)
Waterhouse, Mark via AMBER
- [AMBER] Problems with entropy calculation in MMGBSA (Wed Apr 16 2025 - 06:11:18 PDT)
王世玉 via AMBER
- [AMBER] Inquiry about DNA Residue Nomenclature for Constant-pH MD in AMBER (Wed Apr 09 2025 - 20:31:25 PDT)