Amber Archive Dec 2021 by messages with attachments

227 messages: Starting Wed Dec 01 2021 - 02:30:02 PST, Ending Fri Dec 31 2021 - 05:30:02 PST
This period: Most recent messages
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[AMBER] What if MM Energy > QM Energy Even Vn=0 Erdem Yeler (Sat Dec 04 2021 - 06:56:43 PST)
1. image.png (35760 bytes)
Re: [AMBER] Error with MMPBSA Monsurat M. Lawal (Wed Dec 08 2021 - 05:36:30 PST)
1. mmgbsa.pbs (707 bytes)
[AMBER] Electrostatic energy in TI at lambda=1 for a toy system Ali Morshedi (Sat Dec 11 2021 - 00:04:27 PST)
1. ti.out (10152 bytes)
2. oh.rst7 (194 bytes)
3. ti.parm7 (3479 bytes)
4. oh.parm7 (8590 bytes)
5. oh.out (7438 bytes)
6. ti.rst7 (314 bytes)
7. wat.parm7 (8504 bytes)
8. wat.out (7438 bytes)
9. wat.rst7 (194 bytes)
10. run.sh (881 bytes)
[AMBER] Inquiry about an error message when I constructing the frcmod file for my organometallic complex Yi Ren (Wed Dec 15 2021 - 17:22:43 PST)
1. error_no_torsion_terms.png (23599 bytes)
2. frcmod_input.png (152596 bytes)
[AMBER] Problems about quasi-harmonic 周丽萍 (Wed Dec 22 2021 - 18:02:40 PST)
1. 1640224772093.png (14141 bytes)
[AMBER] Adjust system in certain axis mohamed marzouk (Thu Dec 23 2021 - 16:31:01 PST)
1. image001.png (89163 bytes)
2. image002.png (471261 bytes)
[AMBER] DE Shaw RNA parameters error Alexander Izvorski (Sun Dec 26 2021 - 14:30:53 PST)
1. 7act_test.pdb (25920 bytes)
[AMBER] Ligand problem in system preparation Ch Bilal (Tue Dec 28 2021 - 01:17:56 PST)
1. LIG.mol2 (9624 bytes)