Amber Archive Aug 2016 by messages with attachments
584 messages
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Starting
Sun Jul 31 2016 - 20:30:02 PDT,
Ending
Wed Aug 31 2016 - 18:00:02 PDT
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[AMBER] tinker_to_amber error
Xiaoliu Zhang
(Mon Aug 01 2016 - 08:52:17 PDT)
methanol.pdb
(477 bytes)
methanol.xyz
(397 bytes)
methanol.key
(67 bytes)
amoeba04.prm
(186706 bytes)
methanol.analout
(989 bytes)
[AMBER] HBond command
Sidhu, Khushwant (Dr.)
(Tue Aug 02 2016 - 05:50:08 PDT)
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)
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)
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)
py-comp1.mol
(1052 bytes)
Re: [AMBER] Regarding antechamber command Error
Vishal Nemaysh
(Thu Aug 11 2016 - 06:07:53 PDT)
lig.pdb
(2788 bytes)
Re: [AMBER] Amber16 installation error.
Abhilash J
(Thu Aug 11 2016 - 12:06:33 PDT)
output.txt
(44273 bytes)
[AMBER] QM/MM stops at step 2114
Corum, Katharine W
(Mon Aug 15 2016 - 08:08:25 PDT)
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)
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)
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)
leap.log
(54620 bytes)
Re: [AMBER] Problem in charge generation through antechamber
ATUL KUMAR
(Thu Aug 18 2016 - 23:11:14 PDT)
ACO1.pdb
(8617 bytes)
[AMBER] Temperature Shoot-up in TMD
Aravind Ravichandran
(Fri Aug 19 2016 - 00:26:24 PDT)
temp.jpg
(26148 bytes)
Re: [AMBER] Problem in charge generation through antechamber
Bruno Falcone
(Fri Aug 19 2016 - 07:47:05 PDT)
am1_bcc.mol2
(9259 bytes)
am1.mop
(4190 bytes)
am1_mulliken.mol2
(7282 bytes)
[AMBER] WHAM analysis
Thakur, Abhishek
(Fri Aug 19 2016 - 14:55:16 PDT)
____.png
(616 bytes)
Re: [AMBER] WHAM analysis
Chi Jin
(Sat Aug 20 2016 - 11:13:41 PDT)
2D_WHAM.png
(50118 bytes)
result.txt
(576321 bytes)
[AMBER] Fw: Problems to calculate frequencies
Stregone
(Thu Aug 25 2016 - 03:14:42 PDT)
leap.log
(21033 bytes)
[AMBER] Checking AmberTools16 installation
Bence Hégely
(Thu Aug 25 2016 - 11:53:11 PDT)
08-25_17-30-57.diff
(342829 bytes)
08-25_17-30-57.log
(392392 bytes)
at_summary
(293 bytes)
config.h
(6174 bytes)
systemspec.txt
(2599 bytes)
Last message date
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Wed Aug 31 2016 - 18:00:02 PDT
Archived on
: Sun Nov 24 2024 - 05:55:36 PST
584 messages
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