Amber Archive Apr 2014: by messages with attachments

[AMBER] leap error sammia khatak (Thu Apr 03 2014 - 08:49:09 PDT)
1. error.txt (9365 bytes)
[AMBER] new error sammia khatak (Fri Apr 04 2014 - 05:21:33 PDT)
1. 1geqc.pdb (193821 bytes)
2. 3rg_H.mol2 (2453 bytes)
3. 3rg_H.frcmod (534 bytes)
4. 3rg_H.pdb (2514 bytes)
5. leap.log (210601 bytes)
Re: [AMBER] ATOMIC NUMBER section in prmtop file - Sustiva example ye renlo (Sat Apr 05 2014 - 07:39:38 PDT)
1. leap.jpg (120469 bytes)
[AMBER] Fwd: MMPBSA.py PrmtopError: Complex natom != receptor natom + ligand natom Javier Alejandro Rendon Carrillo (Tue Apr 08 2014 - 20:47:14 PDT)
1. 04-08_a_la_s__22.44.42.png (328134 bytes)
[AMBER] rdf averaging problem newamber list (Thu Apr 10 2014 - 15:08:49 PDT)
1. test.png (50677 bytes)
Re: [AMBER] AMBER Digest, Vol 818, Issue 1 jinfenghuang (Thu Apr 10 2014 - 19:18:48 PDT)
1. H3O.inpcrd (157 bytes)
2. H3O.prmtop (7661 bytes)
3. HOH.inpcrd (121 bytes)
4. HOH.prmtop (7505 bytes)
[AMBER] Fw:Problems with the gas energy of H3O+ and H2O jinfenghuang (Thu Apr 10 2014 - 20:06:53 PDT)
1. HOH.inpcrd (121 bytes)
2. HOH.prmtop (7505 bytes)
3. H3O.inpcrd (157 bytes)
4. H3O.prmtop (7661 bytes)
Re: [AMBER] Error when runing sietraj for AMBER trajectory Shulin Zhuang (Thu Apr 10 2014 - 22:41:49 PDT)
1. sietraj.tcl (6455 bytes)
[AMBER] Problems with the gas energy of H3O+ and H2O 黄 (Fri Apr 11 2014 - 07:46:09 PDT)
1. H3O.inpcrd (157 bytes)
2. H3O.prmtop (7661 bytes)
Re: [AMBER] rdf averaging problem Daniel Roe (Fri Apr 11 2014 - 11:33:49 PDT)
1. Cl.jpg (76119 bytes)
[AMBER] rism1d error Brian Radak (Fri Apr 11 2014 - 17:19:08 PDT)
1. spce.MGCl2.rism1d.KH.inp (736 bytes)
Re: [AMBER] Generate a pdb with unique atom names Jean-Patrick Francoia (Tue Apr 15 2014 - 00:52:37 PDT)
1. names.pdb (78858 bytes)
Re: [AMBER] Nonbond Energy for Single Water Molecule ? Jinfeng Huang (Tue Apr 15 2014 - 21:11:25 PDT)
1. WT1.frcmod (357 bytes)
2. WT1.prep (566 bytes)
[AMBER] antechamber problem Carlos Romero (Mon Apr 21 2014 - 21:51:02 PDT)
1. silibinin_uk.pdb (9479 bytes)
Re: [AMBER] antechamber problem JAIME RUBIO MARTINEZ (Tue Apr 22 2014 - 01:33:21 PDT)
1. date_ (4675 bytes)
Re: [AMBER] antechamber problem JAIME RUBIO MARTINEZ (Tue Apr 22 2014 - 11:18:15 PDT)
1. date_ (15632 bytes)
[AMBER] average problem........ 전선희 (Thu Apr 24 2014 - 21:11:01 PDT)
1. average_error.docx (11955 bytes)
Re: [AMBER] Native Contact Help Daniel Roe (Mon Apr 28 2014 - 12:22:56 PDT)
1. cpptraj.out.gz (1934 bytes)
Re: [AMBER] Simulation of protein- cyclic nucleotide complex Jason Swails (Wed Apr 30 2014 - 04:43:10 PDT)
1. leap.patch (938 bytes)
[AMBER] how to protonate phosphate groups of nucleotides Valentina D'Atri (Wed Apr 30 2014 - 10:13:32 PDT)
1. leap.log (20455 bytes)
2. TGpohT.inpcrd (29477 bytes)
3. TGpohT.prmtop (345509 bytes)
4. TGpohT_eq1.rst (59015 bytes)
5. TGpohT_min1.rst (29468 bytes)

Amber Archive Apr 2014 by messages with attachments