Amber Archive Aug 2016: by messages with attachments

[AMBER] tinker_to_amber error Xiaoliu Zhang (Mon Aug 01 2016 - 08:52:17 PDT)
1. methanol.pdb (477 bytes)
2. methanol.xyz (397 bytes)
3. methanol.key (67 bytes)
4. amoeba04.prm (186706 bytes)
5. methanol.analout (989 bytes)
[AMBER] HBond command Sidhu, Khushwant (Dr.) (Tue Aug 02 2016 - 05:50:08 PDT)
1. 6867-42B3-B7C3-C9646403316A_3_.x-apple-msg-attachment (4052 bytes)
[AMBER] Amber´14 Solvent box simulation, something went wrong!! Stregone (Wed Aug 03 2016 - 06:43:18 PDT)
1. npt.out.1 (20314 bytes)
[AMBER] Amber 14.13 pmemd.cuda: Error: invalid configuration argument launching kernel kPMEReduceChargeGridBuffer William Lees (Wed Aug 10 2016 - 02:02:59 PDT)
1. cuda_error.log (8020 bytes)
[AMBER] does AMBER already have Pt parameters for modeling cisplatin like compounds? Vaibhav Dixit (Wed Aug 10 2016 - 04:49:05 PDT)
1. py-comp1.mol (1052 bytes)
Re: [AMBER] Regarding antechamber command Error Vishal Nemaysh (Thu Aug 11 2016 - 06:07:53 PDT)
1. lig.pdb (2788 bytes)
Re: [AMBER] Amber16 installation error. Abhilash J (Thu Aug 11 2016 - 12:06:33 PDT)
1. output.txt (44273 bytes)
[AMBER] QM/MM stops at step 2114 Corum, Katharine W (Mon Aug 15 2016 - 08:08:25 PDT)
1. pastedImage.png (173053 bytes)
[AMBER] [AMBER} NetCDF installation problem on mac OS X El Capitan mirko hennig (Mon Aug 15 2016 - 09:26:56 PDT)
1. NetCDF_MacOSX_ElCapitan.txt (1833 bytes)
[AMBER] MD simulation with non natural amino acid, parameterized using the RED server Cecilia Lindgren (Wed Aug 17 2016 - 05:56:24 PDT)
1. frcmod.known (9504 bytes)
Re: [AMBER] MD simulation with non natural amino acid, parameterized using the RED server Cecilia Lindgren (Wed Aug 17 2016 - 23:11:15 PDT)
1. leap.log (54620 bytes)
Re: [AMBER] Problem in charge generation through antechamber ATUL KUMAR (Thu Aug 18 2016 - 23:11:14 PDT)
1. ACO1.pdb (8617 bytes)
[AMBER] Temperature Shoot-up in TMD Aravind Ravichandran (Fri Aug 19 2016 - 00:26:24 PDT)
1. temp.jpg (26148 bytes)
Re: [AMBER] Problem in charge generation through antechamber Bruno Falcone (Fri Aug 19 2016 - 07:47:05 PDT)
1. am1_bcc.mol2 (9259 bytes)
2. am1.mop (4190 bytes)
3. am1_mulliken.mol2 (7282 bytes)
[AMBER] WHAM analysis Thakur, Abhishek (Fri Aug 19 2016 - 14:55:16 PDT)
1. ____.png (616 bytes)
Re: [AMBER] WHAM analysis Chi Jin (Sat Aug 20 2016 - 11:13:41 PDT)
1. 2D_WHAM.png (50118 bytes)
2. result.txt (576321 bytes)
[AMBER] Fw: Problems to calculate frequencies Stregone (Thu Aug 25 2016 - 03:14:42 PDT)
1. leap.log (21033 bytes)
[AMBER] Checking AmberTools16 installation Bence Hégely (Thu Aug 25 2016 - 11:53:11 PDT)
1. 08-25_17-30-57.diff (342829 bytes)
2. 08-25_17-30-57.log (392392 bytes)
3. at_summary (293 bytes)
4. config.h (6174 bytes)
5. systemspec.txt (2599 bytes)

Amber Archive Aug 2016 by messages with attachments