Amber Archive Jun 2015 by messages with attachments

[AMBER] How to Simulate Monoclinic crystal packing arrangement. srilaxmi reddy (Mon Jun 01 2015 - 02:55:20 PDT)
1. fxtmeth.pdf (499481 bytes)
[AMBER] ERROR WHILE RUNNING ANTECHAMBER ROOPALI VERMA (Wed Jun 03 2015 - 01:08:00 PDT)
1. ADP.pdb (2214 bytes)
2. complex.pdb (602806 bytes)
Re: [AMBER] Density for a protein ligand complex run Hector A. Baldoni (Wed Jun 03 2015 - 05:58:49 PDT)
1. files.tar.gz (1190 bytes)
[AMBER] Fwd: GPU pmemd.cuda runs very slow (3ns/day)??? Chinh Su Tran To (Thu Jun 04 2015 - 01:13:55 PDT)
1. ma2ncMaxRDC_heat.out (66905 bytes)
Re: [AMBER] Fwd: GPU pmemd.cuda runs very slow (3ns/day)??? Chinh Su Tran To (Thu Jun 04 2015 - 03:58:08 PDT)
1. ma2ncMaxRDC_eq.out (13681 bytes)
[AMBER] Leap : problem with copying and combining DNA items Jérémie Knoops (Sun Jun 07 2015 - 23:58:18 PDT)
1. DNA.leap (453 bytes)
2. DNA.prmtop (55097 bytes)
3. DNA2.prmtop (55137 bytes)
4. LIG.prmtop (61067 bytes)
5. LIG2.prmtop (61026 bytes)
6. leap.log (12153 bytes)
7. sm_m9-c1.mol2 (1781 bytes)
[AMBER] Fwd: Question about building a branched levan oligosaccharide Surasak Chunsrivirot (Mon Jun 08 2015 - 07:26:17 PDT)
1. levan_branching_example.gif (7783 bytes)
[AMBER] problem with extraction of potential energy for the ligand Maryam Hamzehee (Wed Jun 10 2015 - 02:50:14 PDT)
1. lig_en_extract.out (6843 bytes)
Re: [AMBER] problem with extraction of potential energy for the ligand Maryam Hamzehee (Wed Jun 10 2015 - 12:03:44 PDT)
1. lig_en_extract.out (6843 bytes)
Re: [AMBER] tinker_to_amber doesn't like AMOEBA reference frames for chloride David A Case (Thu Jun 11 2015 - 11:05:58 PDT)
1. tinker.patch (609 bytes)
Re: [AMBER] tinker_to_amber doesn't like AMOEBA reference frames for chloride David A Case (Thu Jun 11 2015 - 11:08:18 PDT)
1. tinker.patch (609 bytes)
[AMBER] problem in .pdb after md simulation Vishal Nemaysh (Mon Jun 15 2015 - 23:52:58 PDT)
1. protein.pdb (461225 bytes)
Re: [AMBER] problem in .pdb after md simulation Soumendranath Bhakat (Tue Jun 16 2015 - 00:54:25 PDT)
1. chimera_image.png (196123 bytes)
Re: [AMBER] NMR restraints with pmemd.cuda problem Miroslav Krepl (Wed Jun 17 2015 - 11:50:13 PDT)
1. sys.zip (944801 bytes)
[AMBER] resp: errors in reading the electrostatic potential Neelanjana Sengupta (Sun Jun 21 2015 - 02:51:03 PDT)
1. rit.out (14105 bytes)
Re: [AMBER] generating topology without loading Frcmod file Arun Srikanth (Wed Jun 24 2015 - 15:13:00 PDT)
1. 1mol.pdb (6396 bytes)
2. 2mol.pdb (6188 bytes)
[AMBER] A possible bug in t leap when creating topology file ? Arun Srikanth (Wed Jun 24 2015 - 20:59:57 PDT)
1. 1mol.pdb (6396 bytes)
2. 2mol.pdb (6188 bytes)
[AMBER] error in MD simulation erik.laurini.di3.units.it (Thu Jun 25 2015 - 07:17:56 PDT)
1. density.in (236 bytes)
2. heat.in (329 bytes)
3. min.in (150 bytes)
[AMBER] Quantifying Membrane Contact or insertion Parker de Waal (Mon Jun 29 2015 - 11:39:35 PDT)
1. drawing.png (51030 bytes)
[AMBER] svdcmp in sander/ncsu-rmsd.F90 (AmberTools15) is sensitive to higher optimizations, suggest using lapack routine instead Åke Sandgren (Mon Jun 29 2015 - 23:41:35 PDT)
1. svdcmp.patch (1810 bytes)

Last message date: Tue Jun 30 2015 - 21:30:02 PDT
Archived on: Wed Apr 24 2024 - 05:55:11 PDT

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