Amber Archive Jul 2015 by messages with attachments

Re: [AMBER] Ambertools15 installation without Amber ANWESHA SARKAR (Thu Jul 02 2015 - 03:25:37 PDT)
1. 06-30_17-24-33.diff (31228 bytes)
2. 06-30_17-24-13.log (4218 bytes)
3. 06-30_17-24-26.log (3072 bytes)
4. 06-30_17-24-33.log (224425 bytes)
5. at_summary (263 bytes)
[AMBER] another leap inconsistency Hannes Loeffler (Thu Jul 02 2015 - 06:44:03 PDT)
1. leap.tar.bz2 (6490 bytes)
Re: [AMBER] another leap inconsistency hannes.loeffler.stfc.ac.uk (Fri Jul 03 2015 - 13:02:49 PDT)
1. test.tar.bz2 (55624 bytes)
[AMBER] Problem in loading the pdb file Harshala Haldankar (Thu Jul 09 2015 - 03:58:07 PDT)
1. Snapshot.docx (288454 bytes)
[AMBER] Order of the atom in prep ourput of antechamber Nicholus Bhattacharjee (Fri Jul 10 2015 - 01:52:24 PDT)
1. ia3_m1-c1.mol2 (3024 bytes)
2. pep.prep (2391 bytes)
Re: [AMBER] NOESY volumes restraints Eugene Sviridov (Fri Jul 10 2015 - 03:39:02 PDT)
1. ds.prmtop (274588 bytes)
2. minh.out (104726 bytes)
3. minh.restrt (23006 bytes)
[AMBER] molecules split apart during MD Lara rajam (Fri Jul 10 2015 - 07:20:43 PDT)
1. 07-10_at_10.16.19_AM.png (70245 bytes)
Re: [AMBER] Changing NMR restraint weights David A Case (Tue Jul 14 2015 - 08:48:29 PDT)
1. 001.out (421031 bytes)
[AMBER] strange output from vacuum minimization Albert (Wed Jul 15 2015 - 01:30:48 PDT)
1. 1.jpg (78698 bytes)
[AMBER] test failed but still work Albert (Wed Jul 15 2015 - 05:31:47 PDT)
1. 10-29_06-00-36.log (23196 bytes)
[AMBER] Error in writing .lib file Elvis Martis (Wed Jul 15 2015 - 20:13:18 PDT)
1. image.png (236412 bytes)
2. image.png (236825 bytes)
[AMBER] Coordinate resetting (SHAKE) cannot be accomplished Vahid Kshani (Wed Jul 15 2015 - 22:27:59 PDT)
1. oselt-c.tar.gz (129265 bytes)
Re: [AMBER] Deleting multiple atoms in xleap jacob wick (Fri Jul 17 2015 - 05:58:35 PDT)
1. image.png (70908 bytes)
Re: [AMBER] Mutation of a protein residue in TI computation with pmemd.MPI hannes.loeffler.stfc.ac.uk (Fri Jul 17 2015 - 10:22:22 PDT)
1. INT.mol2 (1539 bytes)
[AMBER] Problem in saving parameter/topology and coordinate file. Harshala Haldankar (Fri Jul 17 2015 - 22:44:47 PDT)
1. Error.docx (323557 bytes)
[AMBER] Distance restraint in AMBER 14 and GPU Lionel Sacconnay (Mon Jul 20 2015 - 02:28:23 PDT)
1. image003.jpg (4313 bytes)
[AMBER] qm-mmgbsa error Ayesha Fatima (Mon Jul 20 2015 - 21:55:17 PDT)
1. error_msg.PNG (26865 bytes)
2. _MMPBSA_gb_qmmm_com.mdin (244 bytes)
3. _MMPBSA_gb_qmmm_lig.mdin (218 bytes)
4. _MMPBSA_gb_qmmm_rec.mdin (226 bytes)
5. mmpbsa.in (220 bytes)
Re: [AMBER] [cpptraj] Nativecontacts failing with long trajectory Juan Eiros Zamora (Thu Jul 23 2015 - 00:59:57 PDT)
1. cmap_1.dat (4601 bytes)
2. cmap_2.dat (1361 bytes)
3. cmap_3.dat (3521 bytes)
4. cmap_4.dat (41 bytes)
[AMBER] detecting and removing corrupted frames Thomas Evangelidis (Mon Jul 27 2015 - 03:32:23 PDT)
1. corrupted.png (239090 bytes)
[AMBER] Utilization of 3 GPUs suddenly drop to 0% and won't work any more 浅井賢 (Tue Jul 28 2015 - 23:35:38 PDT)
1. md.out (16884 bytes)
2. smi.txt (2912 bytes)
Re: [AMBER] cpptraj Help rmsd between two homologous proteins and their Trajectory bharat lakhani (Wed Jul 29 2015 - 19:47:32 PDT)
1. RMSD_cpptraj.out (18585 bytes)

Last message date: Fri Jul 31 2015 - 14:00:05 PDT
Archived on: Fri Dec 20 2024 - 05:55:14 PST

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