Amber Archive Jun 2016 by messages with attachments

[AMBER] mmgbsa calculation chemjxn (Wed Jun 01 2016 - 17:25:53 PDT)
1. error.jpg (332811 bytes)
2. gbsa.sh (350 bytes)
3. mmpbsa.in (150 bytes)
Re: [AMBER] Unreadable rst7 Elisa Pieri (Thu Jun 02 2016 - 04:02:46 PDT)
1. retk.rst7 (3561 bytes)
2. retk.parm7 (53314 bytes)
3. min.mdin (139 bytes)
[AMBER] Ambertools16 test failed for leap zoran matovic (Sat Jun 04 2016 - 14:18:22 PDT)
1. 06-04_13-10-06.diff (334250 bytes)
2. at_summary (258 bytes)
[AMBER] Error in tleap for the atom type of OCT1 and OCT2 of glutamic acid at C-terminal Shreeramesh (Fri Jun 10 2016 - 07:16:49 PDT)
1. tleap.zip (96367 bytes)
[AMBER] radial distribution function tails for liquids using GAFF conor parks (Fri Jun 10 2016 - 18:51:35 PDT)
1. n-RDF-small-system.pdf (7981 bytes)
2. large_simulation_NVT.pdf (12660 bytes)
[AMBER] 回复：Re: Help me with double ambiguous noe.map files!!! PLEASE tanfei777.sina.cn (Mon Jun 13 2016 - 20:06:30 PDT)
1. Fei_Tan_s_Files_AMBER_.zip (360754 bytes)
Re: [AMBER] Errors in my installation Abdul-Rashid Iii Sampaco (Tue Jun 14 2016 - 19:54:35 PDT)
1. lib.JPG (62687 bytes)
2. packages.JPG (46428 bytes)
[AMBER] Reminder: Training and Innovation Course in Drug Design Thomas Exner (Tue Jun 14 2016 - 23:59:22 PDT)
1. Milano2016_Poster_V1.pdf (596183 bytes)
[AMBER] Imaging problem? colvin (Wed Jun 15 2016 - 21:11:39 PDT)
1. 3.png (136394 bytes)
Re: [AMBER] Imaging problem? colvin (Fri Jun 17 2016 - 00:06:52 PDT)
1. center-no-image-pep.png (29662 bytes)
2. autoimage.png (32238 bytes)
3. center-no-image-rec.png (29934 bytes)
4. auto.png (221016 bytes)
5. imagefam.png (30672 bytes)
6. noimage.png (124816 bytes)
7. center-no-image.png (33024 bytes)
[AMBER] Problem analysing output with process_mdout.perl script Ruth Helena Tichauer (Tue Jun 21 2016 - 08:46:40 PDT)
1. summary.DENSITY (1501 bytes)
2. process_mdout.perl (6098 bytes)
[AMBER] Error in MMPBSA Shreeramesh (Thu Jun 23 2016 - 07:50:16 PDT)
1. mmpbsa.in (277 bytes)
2. g.pbs (707 bytes)
Re: [AMBER] Error in MCPB.py Marcelo Andrade Chagas (Thu Jun 23 2016 - 10:27:58 PDT)
1. image.png (185123 bytes)
2. image.png (14739 bytes)
[AMBER] HYDROGEN BONDING ANALYSIS chemjxn (Fri Jun 24 2016 - 04:35:19 PDT)
1. analyse_hbond.ptraj (1560 bytes)
2. 1ksn_complex.pdb (185577 bytes)
Re: [AMBER] solvent equilibration Hector A. Baldoni (Sat Jun 25 2016 - 18:18:29 PDT)
1. ACETONE.rar (681778 bytes)
[AMBER] convert mol2 to prepin Martina Devi (Tue Jun 28 2016 - 09:40:39 PDT)
1. OAU.mol2 (3935 bytes)
[AMBER] Fwd: equilibration problem esther nehu (Tue Jun 28 2016 - 22:41:51 PDT)
1. a.prmtop (65008 bytes)
2. md.mdcrd (656281 bytes)
Re: [AMBER] 9. Hidden parameters for tleap Lea Natalia Toledo Carvajal (Wed Jun 29 2016 - 03:09:26 PDT)
1. input1_leap.txt (562 bytes)
2. mix.frcmod.txt (2511 bytes)
3. hit.lib.txt (2789 bytes)
4. cid.lib.txt (2101 bytes)
5. o2.lib.txt (1090 bytes)
6. Cup.lib.txt (1104 bytes)
7. leap.log.txt (44709 bytes)
Re: [AMBER] TIP3PFBOX: water model Thakur, Abhishek (Wed Jun 29 2016 - 07:12:23 PDT)
1. water_models.pdf (367085 bytes)
Re: [AMBER] Library errors while using NAB on Amber16 David A Case (Wed Jun 29 2016 - 18:53:19 PDT)
1. link_na.patch (1148 bytes)
[AMBER] compiling reduce with gcc6 David A Case (Thu Jun 30 2016 - 05:45:07 PDT)
1. reduce.patch (804 bytes)
[AMBER] one more point about gcc6 David A Case (Thu Jun 30 2016 - 06:06:24 PDT)
1. utilities.patch (441 bytes)

Last message date: Thu Jun 30 2016 - 19:30:03 PDT
Archived on: Fri Dec 20 2024 - 05:55:24 PST

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