Amber Archive Oct 2020: by messages with attachments

[AMBER] MMGBSA/MMPBSA Help Abdul-Rashid III Sampaco (Sat Oct 03 2020 - 04:33:44 PDT)
1. image.png (31260 bytes)
2. image.png (31196 bytes)
Re: [AMBER] RMSD of ligand in pocket Debarati DasGupta (Sun Oct 04 2020 - 06:55:41 PDT)
1. F5698954F188421F96A548D21CEB98A2.png (246047 bytes)
[AMBER] controversy in PBSA and GBSA results h_sahakyan.mb.sci.am (Mon Oct 05 2020 - 09:04:26 PDT)
1. FINAL_prot_prot.dat (9615 bytes)
2. FINAL_prot_prot_lig.dat (9646 bytes)
[AMBER] Amber performance Jonathan Gabriel Canan Gomez (Tue Oct 06 2020 - 15:56:22 PDT)
1. nyqljozl.png (30536 bytes)
[AMBER] controversy in PBSA and GBSA results h_sahakyan.mb.sci.am (Wed Oct 07 2020 - 06:19:19 PDT)
1. FINAL_prot_prot.dat (9615 bytes)
2. FINAL_prot_prot_lig.dat (9646 bytes)
Re: [AMBER] how to use one prmtop for two trajectories with just one ion difference Thomas Cheatham (Wed Oct 07 2020 - 16:17:10 PDT)
1. smime.p7s (1373 bytes)
Re: [AMBER] how to use one prmtop for two trajectories with just one ion difference Thomas Cheatham (Thu Oct 08 2020 - 16:37:23 PDT)
1. smime.p7s (1373 bytes)
Re: [AMBER] partial charge calculation (RESP) using gaussian09/antechamber (ambertools17) on a symmetrical molecule BLUNTZER Marie (Mon Oct 12 2020 - 05:42:34 PDT)
1. 1.mol2 (6937 bytes)
2. sym_ANTECHAMBER_RESP2.IN (876 bytes)
3. asym_ANTECHAMBER_RESP2.IN (876 bytes)
4. 13.mol2 (6937 bytes)
5. asym_ANTECHAMBER_RESP1.IN (863 bytes)
6. sym_ANTECHAMBER_RESP1.IN (863 bytes)
7. 13.gau (4403 bytes)
8. 1.gau (4402 bytes)
Re: [AMBER] PMF calculation somdev pahari (Thu Oct 15 2020 - 10:11:28 PDT)
1. COM_dist.RST (1041 bytes)
2. COM_pull.RST (991 bytes)
3. 05_Pull.in (471 bytes)
4. 06_Prod.in (457 bytes)
5. benzene.jpg (361898 bytes)
[AMBER] KeyError: 'H262' Wu Xu (Thu Oct 15 2020 - 20:25:27 PDT)
1. test.log (6352 bytes)
[AMBER] Bond: Maximum coordination exceeded Sarah Jane (Sun Oct 18 2020 - 11:21:45 PDT)
1. cornisic_acid_complex.pdb (397810 bytes)
[AMBER] controversy in PBSA and GBSA results h_sahakyan.mb.sci.am (Tue Oct 20 2020 - 05:27:05 PDT)
1. aa_decompos_pb.dat (33787 bytes)
2. aa_decompos_gb.dat (34531 bytes)
Re: [AMBER] ff19SB and OPC, process_(min/md)out.perl and LEaP Gustaf Olsson (Wed Oct 21 2020 - 05:36:30 PDT)
1. 10-21_at_12.44.07.png (174811 bytes)
[AMBER] Is the amber website down? 9am EST Debarati DasGupta (Thu Oct 22 2020 - 06:13:12 PDT)
1. 4D60676DCCD14601A72F81AFBBBEF6DA.png (16931 bytes)
Re: [AMBER] doubt charges MYRIAN TORRES RICO (Fri Oct 23 2020 - 05:30:26 PDT)
1. prueba.pdb (176221 bytes)
2. prueba.jpg (58744 bytes)
Re: [AMBER] doubt charges MYRIAN TORRES RICO (Fri Oct 23 2020 - 07:10:55 PDT)
1. prueba.pdb (176221 bytes)
2. prueba.jpg (58744 bytes)
Re: [AMBER] ff19SB and OPC, process_(min/md)out.perl and LEaP Daniel Roe (Fri Oct 23 2020 - 10:19:28 PDT)
1. final.1.out.gz (93028 bytes)
Re: [AMBER] doubt charges gagandeep singh (Fri Oct 23 2020 - 06:27:09 PDT)
1. image.png (446952 bytes)
Re: [AMBER] ff19SB and OPC, process_(min/md)out.perl and LEaP Gustaf Olsson (Mon Oct 26 2020 - 01:21:15 PDT)
1. 10-26_at_09.19.50.png (26176 bytes)
[AMBER] TI calculation input clarification Delwakkada Liyanage, Senal Dinuka (Tue Oct 27 2020 - 10:00:51 PDT)
1. md7_vdw.in (448 bytes)
2. md7_c.in (417 bytes)
[AMBER] How to import (.pdb) files into xleap of AMBER generated by Cellulose builder Pinky Mazumder (Wed Oct 28 2020 - 22:47:59 PDT)
1. 10-29_00-41-23.png (107591 bytes)
Re: [AMBER] NMR restraints Debarati DasGupta (Sat Oct 31 2020 - 07:46:15 PDT)
1. FE11AF737B1C4870B092E7D9DCFB9142.png (92446 bytes)

Amber Archive Oct 2020 by messages with attachments