Amber Archive Aug 2022 by messages with attachments

170 messages: Starting Thu Aug 04 2022 - 13:37:50 PDT, Ending Wed Aug 31 2022 - 12:00:06 PDT
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[AMBER] The file contained 6 atoms not in residue templates Sneha Kandapal via AMBER (Wed Aug 17 2022 - 09:21:02 PDT)
1. test.pdb (33269 bytes)
[AMBER] one question about setting up scmask and timask laura zhang via AMBER (Sun Aug 21 2022 - 05:10:55 PDT)
1. 2compound_overlap.pse (34370 bytes)
[AMBER] [AmberTools22 installation] I installed AmberTools22 on my Windows WSL2 but there is no sander.MPI 이동언 via AMBER (Wed Aug 24 2022 - 19:35:58 PDT)
1. 20220825_113558_1697549055.openelement (7674 bytes)
2. 20220825_113558_1063630592.openelement (1836 bytes)
3. 20220825_111836_1753199999.png (7674 bytes)
4. 20220825_112040_1056092608.png (1836 bytes)
[AMBER] Bond energy discrepancy between amber simulated results and cpptraj Ruihan Zhou via AMBER (Mon Aug 29 2022 - 05:27:56 PDT)
1. ala2_ff14.info (401 bytes)
2. ala2_ff19.agr (683 bytes)
3. ala2_ff14.agr (683 bytes)
4. ala2_ff14.prmtop (19313 bytes)
5. ala2_ff14.rst7 (852 bytes)
6. ala2_ff19.rst7 (860 bytes)
7. ala2_ff19.info (426 bytes)
8. ala2_ff19.prmtop (19882 bytes)
9. ala2_gaff.info (401 bytes)
10. ala2_gaff.agr (683 bytes)
11. ala2_gaff.prmtop (19329 bytes)
12. ala2_gaff.rst7 (851 bytes)
[AMBER] Frames are zero for prmtop file Sneha Kandapal via AMBER (Mon Aug 29 2022 - 09:07:38 PDT)
1. image.png (20506 bytes)