Amber Archive Sep 2016 by messages with attachments

474 messages: Starting Wed Aug 31 2016 - 19:00:02 PDT, Ending Fri Sep 30 2016 - 20:00:02 PDT
This period: Most recent messages
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Re: [AMBER] Unable to find mopac charges in mopac.out Sneha Rai (Fri Sep 02 2016 - 00:00:45 PDT)
1. I3P.pdb (2593 bytes)
[AMBER] lig.frcmod file is not formed Vishal Nemaysh (Sat Sep 03 2016 - 07:37:58 PDT)
1. lig.frcmod (62 bytes)
2. lig.mol2 (5883 bytes)
3. lig.pdb (4689 bytes)
4. lig.prepin (4823 bytes)
5. NEWPDB.PDB (3705 bytes)
6. PREP.INF (6812 bytes)
7. protein_Complex.pdb (389053 bytes)
8. sqm.in (3207 bytes)
9. sqm.out (13830 bytes)
10. sqm.pdb (3135 bytes)
[AMBER] Fwd: lig.frcmod file is not formed Vishal Nemaysh (Mon Sep 05 2016 - 00:08:32 PDT)
1. lig.frcmod (62 bytes)
2. lig.mol2 (5883 bytes)
3. lig.pdb (4689 bytes)
4. lig.prepin (4823 bytes)
5. NEWPDB.PDB (3705 bytes)
6. PREP.INF (6812 bytes)
7. protein_Complex.pdb (389053 bytes)
8. sqm.in (3207 bytes)
9. sqm.out (13830 bytes)
10. sqm.pdb (3135 bytes)
[AMBER] query regarding radial distribution function plot. Saman Yousuf ali (Tue Sep 06 2016 - 14:08:46 PDT)
1. rdf-test.agr (6814 bytes)
2. rdf.png (29086 bytes)
Re: [AMBER] Problem with MCPB.py workflow after calculation of force constants. Marcelo Andrade Chagas (Wed Sep 07 2016 - 08:16:23 PDT)
1. image.png (24959 bytes)
[AMBER] Problem with CRD files dhanasekar.mbu.iisc.ernet.in (Thu Sep 08 2016 - 08:05:38 PDT)
1. old_rmsd_result.jpg (39945 bytes)
2. new_rmsd_result.jpg (34801 bytes)
[AMBER] Problems about creating ligand leap input files 康宁 (Sun Sep 11 2016 - 20:37:20 PDT)
1. zcl278.pdb (2754 bytes)
[AMBER] Fwd: query with amber Pooja Kesari (Tue Sep 13 2016 - 23:00:50 PDT)
1. Screenshot.png (390799 bytes)
[AMBER] Problem with CRD files dhanasekar.mbu.iisc.ernet.in (Wed Sep 14 2016 - 23:24:10 PDT)
1. cpptraj_ver15_32bit_rmsd.log (9278 bytes)
2. cpptraj_ver16_rmsd_64bit.log (4118 bytes)
[AMBER] Parmchk - missing nitro improper Miha Purg (Mon Sep 19 2016 - 11:50:37 PDT)
1. pxn.mol2 (3592 bytes)
2. pxn.prepi (2841 bytes)
[AMBER] Parmchk - missing improper parameter for nitro group Miha Purg (Wed Sep 21 2016 - 00:25:45 PDT)
1. pxn.mol2 (3593 bytes)
2. pxn.prepi (2841 bytes)
[AMBER] How to 2D-RDF in cpptraj. Saman Yousuf ali (Thu Sep 22 2016 - 01:05:25 PDT)
1. rdf1.png (137309 bytes)
[AMBER] problem about Using ParmEd or xParmEd 杨金鹏 (Mon Sep 26 2016 - 04:06:02 PDT)
1. problem_when_using_ParmEd.png (34923 bytes)
[AMBER] Issue regarding parametrization Mahrukh Imtiaz (Tue Sep 27 2016 - 04:22:41 PDT)
1. 09-27_16:20:24.png (138648 bytes)