Amber Archive Oct 2024 by messages with attachments

104 messages: Starting Tue Oct 01 2024 - 06:00:02 PDT, Ending Thu Oct 31 2024 - 08:30:02 PDT
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[AMBER] cpinutil.py error: AmberWarning: Molecule atoms are not contiguous! Abdelrahman, Noureen via AMBER (Tue Oct 01 2024 - 09:24:17 PDT)
1. JRA__1_.prepin (6631 bytes)
2. frcmod1_HN__1_.JRA (12612 bytes)
3. frcmod2_HN__1_.JRA (19699 bytes)
4. JRA__1_.pdb (350275 bytes)
Re: [AMBER] QM/MM simulation with SHAKE using Sander QUICK module Ramdhan,Peter A via AMBER (Fri Oct 04 2024 - 09:42:42 PDT)
1. hwlwoy55.png (50129 bytes)
[AMBER] Error when starting PPI GaMD simulation Nikolay Kuzmich via AMBER (Wed Oct 09 2024 - 08:47:36 PDT)
1. 16944215147305d29569d-dcd2-4a3a-8ae5-bf4608de3a11.png (23270 bytes)
[AMBER] Installing Amber24 and AmberTools24 Andriy Kovalenko via AMBER (Fri Oct 18 2024 - 07:41:58 PDT)
1. run_cmake.txt (20181 bytes)
2. make_install.txt (204612 bytes)
Re: [AMBER] Installation: Amber24 with MVAPICH2-GDR Nitin Kulhar via AMBER (Fri Oct 18 2024 - 09:27:02 PDT)
1. cmake.log (3384 bytes)
Re: [AMBER] Installation: Amber24 with MVAPICH2-GDR Nitin Kulhar via AMBER (Sat Oct 19 2024 - 06:00:18 PDT)
1. 1019.log (3218 bytes)
[AMBER] Assistance Required with MCPB.py and Non-Standard Residue Handling 郑逸非 via AMBER (Mon Oct 21 2024 - 00:04:49 PDT)
1. 6rkg_tleap.in (1384 bytes)
2. 6rkg_tleap.out (6519 bytes)
3. KCX.mol2 (2696 bytes)
4. KCX_by_parmchk2.frcmod (392 bytes)
5. KCX_by_parmchk2.mol2 (2696 bytes)
6. KCX_ff14SB.frcmod (4138 bytes)
7. KCX_gaff.frcmod (7635 bytes)
Re: [AMBER] Installation: Amber24 with MVAPICH2-GDR Nitin Kulhar via AMBER (Mon Oct 21 2024 - 20:29:41 PDT)
1. 1022.log (3218 bytes)