Amber Archive Dec 2015 by messages with attachments
311 messages
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Mon Nov 30 2015 - 19:30:03 PST,
Ending
Thu Dec 31 2015 - 08:30:03 PST
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Re: [AMBER] Not matching test AMBER14 with CUDA
Mijiddorj Batsaikhan
(Mon Nov 30 2015 - 20:20:13 PST)
11-30_00-22-03.log
(37640 bytes)
Re: [AMBER] [Amber] nmode() results with imaginary frequencies
Guqin Shi
(Wed Dec 02 2015 - 06:15:58 PST)
complex_BAZ_mode1_nmode.2.out
(310861 bytes)
Re: [AMBER] bond connections
mohammad r
(Thu Dec 03 2015 - 11:27:51 PST)
Capture.PNG
(6063 bytes)
[AMBER] Question Regarding Input File Preparation
Ziheng Wang
(Thu Dec 03 2015 - 18:35:49 PST)
receptor.mol2
(511720 bytes)
Re: [AMBER] Question Regarding Input File Preparation
Jason Swails
(Fri Dec 04 2015 - 04:29:44 PST)
receptor.pdb
(163546 bytes)
Re: [AMBER] bond connections
Jason Swails
(Thu Dec 03 2015 - 20:39:04 PST)
snapshot.jpg
(2529918 bytes)
Re: [AMBER] bond connections
Jonathan Sheehan
(Sun Dec 06 2015 - 00:41:34 PST)
snapshot_fixed.jpg
(150575 bytes)
[AMBER] weird output of SMD simulation combined with Constant pH
zhonghe xu
(Mon Dec 07 2015 - 06:25:27 PST)
SMD_pH.JPG
(308037 bytes)
Re: [AMBER] zinc ordination 2-CYM 2-HID || CYM-CYM covalent bond
V. Kumar
(Thu Dec 10 2015 - 08:05:43 PST)
zinc_cordination2.png
(122016 bytes)
TIP3_ZN.png
(111444 bytes)
[AMBER] Ligand's parameterization
Trang Nguyen
(Wed Dec 16 2015 - 06:07:55 PST)
aligment.png
(143897 bytes)
pep.frcmod
(651 bytes)
pep.log
(2462 bytes)
pep.pdb
(822 bytes)
Re: [AMBER] Ligand's parameterization
Mathy Froeyen
(Wed Dec 16 2015 - 06:47:50 PST)
Run.respx
(3239 bytes)
Re: [AMBER] Ligand's parameterization
Karl Kirschner
(Thu Dec 17 2015 - 04:02:27 PST)
data.png
(182546 bytes)
[AMBER] Is triplicate analysis required for pmemd.MPI and ig=-1?
Morrow,John Kenneth
(Thu Dec 17 2015 - 14:25:51 PST)
3runs.backboneRMSD_32ns.png
(30796 bytes)
[AMBER] Problem in interpreting snapshot_statistics.out after per-residue decomposition analysis
Soong Jiaxin
(Wed Dec 30 2015 - 19:36:54 PST)
12-31_11:29:54.png
(112885 bytes)
Last message date
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Thu Dec 31 2015 - 08:30:03 PST
Archived on
: Wed Nov 06 2024 - 05:55:14 PST
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