Amber Archive Apr 2025: by thread

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

Amber Archive Apr 2025 by thread