Amber Archive Dec 2023 by messages with attachments

148 messages: Starting Thu Nov 30 2023 - 11:30:02 PST, Ending Sun Dec 31 2023 - 14:00:02 PST
This period: Most recent messages
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[AMBER] Fwd: antechamber error-- QMMM: System specified with odd number of electrons Todd Minehardt via AMBER (Fri Dec 01 2023 - 15:01:43 PST)
1. ligand_with_added_h.pdb (13355 bytes)
[AMBER] amber 22 serial installation in local cluster. Dulal Mondal via AMBER (Mon Dec 04 2023 - 10:01:46 PST)
1. 12-04_20-44-19.log (470111 bytes)
2. 12-04_20-44-19.diff (284537 bytes)
[AMBER] Fwd: pi-pi interaction of the protein-ligand complex: Kankana Bhattacharjee via AMBER (Tue Dec 05 2023 - 03:47:37 PST)
1. image.gif (42 bytes)
[AMBER] amber22 installation with plumed patched in MPI Dulal Mondal via AMBER (Tue Dec 05 2023 - 06:01:13 PST)
1. cmake.log (17316 bytes)
[AMBER] : QMMM error - odd number of electrons Yang, Li-Yen via AMBER (Fri Dec 08 2023 - 12:35:47 PST)
1. lipid_dipal_h.pdb (15565 bytes)
[AMBER] Cmake error Dulal Mondal via AMBER (Mon Dec 11 2023 - 00:04:29 PST)
1. cmake.log (16087 bytes)
[AMBER] MCPB-related Gaussian error Mario Lopez Martin via AMBER (Mon Dec 11 2023 - 03:22:45 PST)
1. image001.png (12243 bytes)
2. image002.png (982 bytes)
3. image003.png (604 bytes)
4. image004.png (833 bytes)
[AMBER] MMPBSA error: Kankana Bhattacharjee via AMBER (Thu Dec 14 2023 - 03:56:36 PST)
1. MMPBSA.in (258 bytes)
[AMBER] Problems with mdgx for fitting parameters (conformations do not seem to be the minima) David DELLEMME via AMBER (Fri Dec 22 2023 - 03:17:03 PST)
1. aml2.png (94493 bytes)
2. aml1.png (19819 bytes)
3. aml3.png (20618 bytes)
[AMBER] minout.perl produces empty files James Kress via AMBER (Fri Dec 29 2023 - 11:17:36 PST)
1. out.out (293686 bytes)