Amber Archive Jul 2017 by messages with attachments

605 messages: Starting Fri Jun 30 2017 - 21:30:02 PDT, Ending Mon Jul 31 2017 - 15:00:02 PDT
This period: Most recent messages
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Re: [AMBER] how can i remove this error Rana Rehan Khalid (Sun Jul 02 2017 - 13:58:52 PDT)
1. argn.in (6890 bytes)
Re: [AMBER] how can i remove this error Rana Rehan Khalid (Sun Jul 02 2017 - 15:02:01 PDT)
1. 1.png (145687 bytes)
Re: [AMBER] How continue a crached minimization step? Núbia Prates (Tue Jul 04 2017 - 07:24:10 PDT)
1. mdinfo (1422 bytes)
2. heat.in (789 bytes)
Re: [AMBER] MCPB.py error (MCPB.py -i 4ZF6.in -s 1) use default ions 7440 Rana Rehan Khalid (Wed Jul 05 2017 - 07:31:03 PDT)
1. NIT.pdb (160 bytes)
Re: [AMBER] MCPB.py error (MCPB.py -i 4ZF6.in -s 1) use default ions 7440 David A Case (Wed Jul 05 2017 - 09:19:41 PDT)
1. NIT.mol2 (389 bytes)
Re: [AMBER] MCPB.py error (MCPB.py -i 4ZF6.in -s 1) use default ions 7440 Rana Rehan Khalid (Wed Jul 05 2017 - 11:21:10 PDT)
1. OXY.mol2 (388 bytes)
2. OXY.pdb (160 bytes)
3. OXY.frcmod (62 bytes)
[AMBER] RESP charge fitting error in MCPB.py V3.0 abdennour braka (Fri Jul 07 2017 - 07:34:08 PDT)
1. resp1.chg (1033 bytes)
2. resp1.in (1535 bytes)
3. resp1.out (19542 bytes)
4. resp1.pch (6408 bytes)
5. resp1_calc.esp (231943 bytes)
6. resp2.chg (1033 bytes)
7. resp2.in (1561 bytes)
8. resp2.out (19612 bytes)
9. resp2.pch (6408 bytes)
10. resp2_calc.esp (231943 bytes)
[AMBER] Sander MPI running over multiple nodes. Robinson, Roger (Wed Jul 12 2017 - 06:45:44 PDT)
1. image001.png (1414 bytes)
Re: [AMBER] Suggestions about Center and Image for multiple-molecule complex Guqin Shi (Wed Jul 12 2017 - 07:32:10 PDT)
1. warning (19480 bytes)
Re: [AMBER] hbond analysis with CPPTRAJ Baig abdullah Al muhit (Mon Jul 17 2017 - 14:19:19 PDT)
1. wat.pdb (551 bytes)
2. watnew.pdb (496 bytes)
3. wat.mol2 (1328 bytes)
[AMBER] Chi plot tryptophan. Saman Yousuf ali (Mon Jul 17 2017 - 22:07:16 PDT)
1. angle.png (54156 bytes)
Re: [AMBER] vlimit error sangita kachhap (Wed Jul 19 2017 - 14:09:39 PDT)
1. 6894.png (400638 bytes)
Re: [AMBER] problem Finding entropy Ramin Salimi (Wed Jul 19 2017 - 19:27:50 PDT)
1. 49.0.evecs.dat (341724 bytes)
2. strip.49.0.mbondi3.prmtop (327696 bytes)
[AMBER] Error analyzing temperature Núbia Prates (Fri Jul 28 2017 - 08:16:13 PDT)
1. summary.TEMP (10281 bytes)
[AMBER] Atoms do not have type Error for G-quadruplex DNA. Jerrano Bowleg (Sun Jul 30 2017 - 09:12:07 PDT)
1. cMYC121G4_leap.txt (21310 bytes)
2. cMYC161G4_leap.txt (14550 bytes)
3. cMYC121G4_leap.pdb (52877 bytes)
4. cMYC121G4_noH.pdb (41544 bytes)
5. cMYC161G4_leap.pdb (52944 bytes)
6. cMYC161G4_noH.pdb (41597 bytes)