Amber Archive Nov 2018: by messages with attachments

[AMBER] CpH simulation- error reading charges in long cpin file Amy Rice (Thu Nov 01 2018 - 09:28:54 PDT)
1. 3_site_copy.cpin (6908 bytes)
2. 2_site.cpin (5256 bytes)
3. 3_site.cpin (6908 bytes)
4. 1_site.cpin (3605 bytes)
[AMBER] Protein residues CA atoms treated as sidechain in binding energy decomposition? 鲍劲霄 (Fri Nov 02 2018 - 07:58:31 PDT)
1. Example.tar.bz2 (565764 bytes)
Re: [AMBER] 02_03.rms problem simon chapman (Mon Nov 05 2018 - 14:09:42 PST)
1. Capture.PNG (16769 bytes)
[AMBER] REMD: What can I do with much larger replicas than the number of processors Zhonghua Xia (Wed Nov 07 2018 - 07:22:51 PST)
1. smime.p7s (1515 bytes)
Re: [AMBER] REMD: What can I do with much larger replicas than the number of processors Zhonghua Xia (Fri Nov 09 2018 - 05:27:07 PST)
1. smime.p7s (1515 bytes)
[AMBER] regarding tutorials Charu Sharma (JRF) (Mon Nov 12 2018 - 21:41:28 PST)
1. 11-13_11-08-03.png (141281 bytes)
2. 10-31_09-13-25.png (52729 bytes)
[AMBER] query Charu Sharma (JRF) (Mon Nov 12 2018 - 22:27:35 PST)
1. 11-13_11-55-31.png (112933 bytes)
[AMBER] regarding MD simulation Charu Sharma (JRF) (Wed Nov 14 2018 - 02:57:36 PST)
1. 11-14_16-19-18.png (49092 bytes)
[AMBER] Regarding output file processing of temperature replica exchange Rajarshi Roy (Wed Nov 14 2018 - 04:01:50 PST)
1. input.in (4249 bytes)
2. output.dat (46378 bytes)
[AMBER] Antechamber for PCBM soukaina louerdi (Thu Nov 15 2018 - 05:07:50 PST)
1. pcbm1.pdb (13690 bytes)
[AMBER] regarding creation of production MD output Charu Sharma (JRF) (Fri Nov 16 2018 - 08:33:23 PST)
1. 11-16_21-53-32.png (285252 bytes)
2. 11-16_21-47-08.png (343850 bytes)
3. 11-16_22-02-43.png (124524 bytes)
[AMBER] md production Charu Sharma (JRF) (Fri Nov 16 2018 - 21:07:57 PST)
1. 11-16_22-53-26.png (188176 bytes)
[AMBER] xmgrace Charu Sharma (JRF) (Fri Nov 16 2018 - 21:23:11 PST)
1. 11-17_10-52-13.png (198301 bytes)
[AMBER] graph Charu Sharma (JRF) (Fri Nov 16 2018 - 22:01:24 PST)
1. 11-17_11-11-18.png (56872 bytes)
[AMBER] regarding ambpdb Charu Sharma (JRF) (Sun Nov 18 2018 - 01:22:59 PST)
1. 11-18_14-51-08.png (353983 bytes)
Re: [AMBER] regarding ambpdb Charu Sharma (JRF) (Sun Nov 18 2018 - 03:45:51 PST)
1. 11-18_17-14-05.png (342372 bytes)
2. polyAT_vac_md1_12Acut.rms (22022 bytes)
3. polyAT_vac_md1_nocut.out (2879 bytes)
4. 11-18_16-06-59.png (241827 bytes)
5. 11-18_16-07-30.png (141416 bytes)
[AMBER] cpptraj eroor Rajbinder Kaur Virk (Sun Nov 18 2018 - 05:33:03 PST)
1. cpptraj.log (4945 bytes)
[AMBER] Post_analysis_Amber_tools_suggestion Antonio Amber Carlesso (Sun Nov 18 2018 - 06:09:51 PST)
1. analysis.PNG (331872 bytes)
[AMBER] cpptraj error Rajbinder Kaur Virk (Mon Nov 19 2018 - 04:59:02 PST)
1. cpptraj.log (4945 bytes)
Re: [AMBER] cpptraj error Charu Sharma (JRF) (Mon Nov 19 2018 - 09:22:15 PST)
1. 11-19_22-29-26.png (381989 bytes)
2. 11-19_22-08-30.png (192764 bytes)
[AMBER] REGARDING TUTORIAL Charu Sharma (JRF) (Tue Nov 20 2018 - 15:39:07 PST)
1. 11-20_11-49-25__1_.png (169066 bytes)
2. 11-20_11-49-25.png (169066 bytes)
3. 11-20_11-51-37.png (113442 bytes)
4. 11-20_11-49-25__2_.png (169066 bytes)
[AMBER] Hamiltonian Replica Exchange with Amber 18 Bruno Falcone (Fri Nov 23 2018 - 07:28:29 PST)
1. remd.mdin (337 bytes)
2. remd.gf (1824 bytes)
[AMBER] QMMM free energy calculations for alchemical changes using a coupling parameter in amber 18 Braden Kelly (Tue Nov 27 2018 - 00:10:01 PST)
1. 1495766834.jpg (5529 bytes)
[AMBER] Failed to merge the protein-ligand amoeba parameters 王茜茜 (Tue Nov 27 2018 - 00:46:01 PST)
1. com.xyz (144205 bytes)
2. protein.key (103 bytes)
3. lig.key (7223 bytes)
4. com.key (7329 bytes)
5. lig.xyz (865 bytes)
6. protein.xyz (143347 bytes)
[AMBER] Choosing a temperature schedule for Simulated annealing Rajbinder Kaur Virk (Wed Nov 28 2018 - 23:19:39 PST)
1. Protocol1.png (86943 bytes)
2. Protocol2.png (52343 bytes)

Amber Archive Nov 2018 by messages with attachments