Amber Archive Dec 2018: by messages with attachments

Re: [AMBER] cpptraj error Rajbinder Kaur Virk (Sun Dec 02 2018 - 22:16:28 PST)
1. implicit_0.png (19266 bytes)
2. implicit_RT.png (23047 bytes)
[AMBER] TUTORIAL Charu Sharma (JRF) (Mon Dec 03 2018 - 01:54:35 PST)
1. 12-03_15-23-09.png (99524 bytes)
2. 12-03_15-20-38.png (98668 bytes)
[AMBER] stapled peptide- PDB bond atom problem Angew Chemie (Mon Dec 03 2018 - 08:45:08 PST)
1. LNK1.pdb (1977 bytes)
2. LNK1_PEP_LNK2.pdb (7308 bytes)
3. PEP.pdb (3795 bytes)
4. LNK2.pdb (1977 bytes)
[AMBER] regarding graph saving in JPEG Charu Sharma (JRF) (Wed Dec 05 2018 - 03:41:05 PST)
1. 12-05_17-02-15.png (88790 bytes)
[AMBER] tleap does not add OXT when I load a crystal structure Thomas Evangelidis (Wed Dec 05 2018 - 15:23:47 PST)
1. receptor.pdb (491107 bytes)
[AMBER] Strange TIP3P solvent box distortions in Amber 18 with Mg2+ Kasprzak, Wojciech (NIH/NCI) [C] (Thu Dec 06 2018 - 12:21:19 PST)
1. EQLR-0100ps-box.png (315856 bytes)
Re: [AMBER] RESP charge calculation Aashish Bhatt (Mon Dec 10 2018 - 02:54:14 PST)
1. charge.PNG (13713 bytes)
[AMBER] strange line between protein chains Núbia Prates (Thu Dec 13 2018 - 07:20:42 PST)
1. file.png (267985 bytes)
Re: [AMBER] strange line between protein chains Núbia Prates (Fri Dec 14 2018 - 04:54:40 PST)
1. leap.log (16398 bytes)
[AMBER] resp charge fitting Thomas Fox (Fri Dec 14 2018 - 08:14:41 PST)
1. resp.tar (307200 bytes)
[AMBER] MCPB.py Modelling Question Hunter Wilson (Sun Dec 16 2018 - 12:48:07 PST)
1. CL.mol2 (277 bytes)
2. 2fct_from_server_total_fixed.pdb (377959 bytes)
3. 2fct_mcpb.in (207 bytes)
4. FE.mol2 (276 bytes)
5. O2M.mol2 (278 bytes)
6. SUC.mol2 (1342 bytes)
[AMBER] CUDA test failure Asma Abro (Sun Dec 16 2018 - 23:22:47 PST)
1. 12-17_02-06-17.diff (289 bytes)
2. 12-17_02-06-17.log (57641 bytes)
[AMBER] Problems calculating self diffusion coefficient of water Lucas Bandeira (Wed Dec 19 2018 - 09:13:07 PST)
1. image.png (4236 bytes)
[AMBER] Total energy of glycan simulation is postive Rajarshi Roy (Fri Dec 21 2018 - 03:38:30 PST)
1. a.png (42225 bytes)
Re: [AMBER] How to add ff99sb*ildn? Leena Aggarwal (Fri Dec 21 2018 - 20:51:50 PST)
1. 12-22_10-00-36.png (147028 bytes)
2. 12-22_10-17-57.png (161741 bytes)
3. 12-22_10-18-22.png (178201 bytes)
[AMBER] FATAL Error: Atom does not have a type Mac Kevin Braza (Tue Dec 25 2018 - 20:36:55 PST)
1. tleap.in (329 bytes)
2. leap.log (662 bytes)
[AMBER] Fwd: FATAL Error: Atom does not have a type Mac Kevin Braza (Tue Dec 25 2018 - 20:38:01 PST)
1. tleap.in (329 bytes)
2. leap.log (662 bytes)
Re: [AMBER] FATAL Error: Atom does not have a type Mac Kevin Braza (Thu Dec 27 2018 - 02:58:26 PST)
1. LIG.pdb (1622 bytes)

Amber Archive Dec 2018 by messages with attachments