15 Apr 00:58 2014Nah Sivar
*Calculating particular pairwise energy terms
15 Apr 01:27 2014Charles Schwieters
**Calculating particular pairwise energy terms
16 Apr 00:27 2014Nah Sivar
***Calculating particular pairwise energy terms
16 Apr 19:19 2014Charles Schwieters
****Calculating particular pairwise energy terms
22 Apr 12:08 2014Nah Sivar
*****Calculating particular pairwise energy terms
22 Apr 19:54 2014Charles Schwieters
******Calculating particular pairwise energy terms
9 Apr 23:06 2014Si Yan
*A question about rotamers
9 Apr 23:54 2014Bermejo, Guillermo (NIH/CIT) [
**A question about rotamers
10 Apr 00:00 2014Si Yan
***A question about rotamers
10 Apr 16:15 2014Charles Schwieters
**A question about rotamers
10 Apr 18:44 2014Si Yan
***A question about rotamers
17 Mar 10:03 2014Gary Thompson
*compiling xplor under osx mavericks
17 Mar 19:43 2014Charles Schwieters
**compiling xplor under osx mavericks
17 Mar 23:21 2014Gary Thompson
***compiling xplor under osx mavericks
18 Mar 00:09 2014Gary Thompson
****compiling xplor under osx mavericks
18 Mar 20:50 2014Charles Schwieters
*****compiling xplor under osx mavericks
19 Mar 20:42 2014Gary Thompson
******compiling xplor under osx mavericks
6 Mar 23:26 2014mrs1988@mail.ustc.edu.cn
*pdb2psf problem
7 Mar 17:17 2014Charles Schwieters
**pdb2psf problem
27 Feb 23:37 2014Gary Thompson
*problems compiling xplor
28 Feb 16:06 2014Charles Schwieters
**problems compiling xplor
28 Feb 18:18 2014Charles Schwieters
**problems compiling xplor
19 Feb 16:17 2014Charles Schwieters
*OSX10.9 was: error message for output files
7 Feb 22:26 2014Charles Schwieters
*xplor-nih parallel issue
7 Feb 21:57 2014Charles Schwieters
*xplor-nih parallel issue
27 Nov 21:45 2013santhu kumar
*Error modelling in RDC's
2 Dec 19:22 2013santhu kumar
**Error modelling in RDC's
2 Dec 22:33 2013Charles Schwieters
***Error modelling in RDC's
3 Dec 05:18 2013santhu kumar
****Error modelling in RDC's
3 Dec 17:39 2013Charles Schwieters
*****Error modelling in RDC's
27 Nov 10:42 2013helene.demene
*equalling two rdc tensors
27 Nov 15:59 2013Charles Schwieters
**equalling two rdc tensors
14 Nov 03:18 2013santhu kumar
*Residue wise R-factors
14 Nov 05:01 2013Gabriel Cornilescu
**Residue wise R-factors
14 Nov 17:00 2013Charles Schwieters
**Residue wise R-factors
14 Nov 17:36 2013santhu kumar
***Residue wise R-factors
14 Nov 18:07 2013Gabriel Cornilescu
****Residue wise R-factors
14 Nov 20:08 2013Charles Schwieters
*****Residue wise R-factors
24 Oct 14:15 2013Carl Diehl
*Docking structures using RDCs
24 Oct 15:02 2013Constantine, Keith
**Docking structures using RDCs
24 Oct 17:53 2013Charles Schwieters
**Docking structures using RDCs
18 Oct 15:22 2013Constantine, Keith
*changing van der Waals radius without modifying an atom type
18 Oct 16:24 2013Charles Schwieters
**changing van der Waals radius without modifying an atom type
18 Oct 19:00 2013Constantine, Keith
***changing van der Waals radius without modifying an atom type
18 Oct 20:03 2013Charles Schwieters
****changing van der Waals radius without modifying an atom type
21 Oct 14:36 2013Constantine, Keith
*****changing van der Waals radius without modifying an atom type
21 Oct 21:44 2013Charles Schwieters
******changing van der Waals radius without modifying an atom type
21 Oct 22:28 2013Constantine, Keith
*******changing van der Waals radius without modifying an atom type
21 Oct 14:37 2013Constantine, Keith
*****changing van der Waals radius without modifying an atom type
14 Oct 23:00 2013THOMAS EDWARD SMITH
*Custom N-terminal modification
30 Sep 20:11 2013santhu kumar
*Ensemble simulation - custom potential
1 Oct 02:56 2013Charles Schwieters
**Ensemble simulation - custom potential
1 Oct 20:32 2013santhu kumar
***Ensemble simulation - custom potential
19 Sep 19:01 2013Marie-Laurence Tremblay
*Error: InternalDynamics::step: large timestep detected. Halving
19 Sep 20:03 2013Charles Schwieters
**Error: InternalDynamics::step: large timestep detected. Halving
10 Sep 01:16 2013Michael Stevens
*rigid body restraints using side chain orientations
10 Sep 18:00 2013Charles Schwieters
**rigid body restraints using side chain orientations
8 Sep 09:12 2013Hiroki Ogasa
*Ensemble refinement with fixing one of the ensemble member during the
9 Sep 16:12 2013Charles Schwieters
**Ensemble refinement with fixing one of the ensemble member during the
5 Sep 09:39 2013Gary Thompson
*Ensemble simulations and threading question
5 Sep 16:29 2013Charles Schwieters
**Ensemble simulations and threading question
27 Aug 17:10 2013santhu kumar
*Ensemble simulation and starting structure
27 Aug 19:15 2013Charles Schwieters
**Ensemble simulation and starting structure
27 Aug 20:38 2013santhu kumar
***Ensemble simulation and starting structure
29 Aug 21:13 2013santhu kumar
****Ensemble simulation and starting structure
30 Aug 16:19 2013Charles Schwieters
*****Ensemble simulation and starting structure
4 Sep 20:16 2013santhu kumar
******Ensemble simulation and starting structure
4 Sep 20:45 2013Charles Schwieters
*******Ensemble simulation and starting structure
5 Sep 06:35 2013santhu kumar
********Ensemble simulation and starting structure
5 Sep 16:15 2013Charles Schwieters
*********Ensemble simulation and starting structure
10 Sep 23:54 2013santhu kumar
**********Ensemble simulation and starting structure
11 Sep 03:28 2013Charles Schwieters
***********Ensemble simulation and starting structure
11 Sep 04:16 2013santhu kumar
************Ensemble simulation and starting structure
11 Sep 17:00 2013Charles Schwieters
*************Ensemble simulation and starting structure
11 Sep 17:41 2013santhu kumar
**************Ensemble simulation and starting structure
27 Aug 14:24 2013santhu kumar
*Ensemble simulation and starting structure
27 Aug 15:35 2013Charles Schwieters
**Ensemble simulation and starting structure
27 Aug 15:43 2013santhu kumar
***Ensemble simulation and starting structure
27 Aug 16:00 2013Charles Schwieters
****Ensemble simulation and starting structure
26 Aug 22:42 2013santhu kumar
*Ensemble simulation and starting structure
27 Aug 03:54 2013Charles Schwieters
**Ensemble simulation and starting structure
16 Aug 02:53 2013Loren Andreas
*visualizing highly ambiguous restraints in vmd-xplor
16 Aug 15:45 2013Charles Schwieters
**visualizing highly ambiguous restraints in vmd-xplor
17 Aug 22:36 2013Loren Andreas
***visualizing highly ambiguous restraints in vmd-xplor
18 Aug 15:02 2013Charles Schwieters
****visualizing highly ambiguous restraints in vmd-xplor
26 Aug 20:00 2013Charles Schwieters
****visualizing highly ambiguous restraints in vmd-xplor
31 Oct 19:43 2013Loren Andreas
*****Changing line thickness of NOEs in VMD-xplor
31 Oct 21:11 2013Charles Schwieters
******Changing line thickness of NOEs in VMD-xplor
12 Aug 06:04 2013Prem Prakash Pathak
*Invitation to connect on LinkedIn
25 Jun 15:05 2013DAI, JIAN
*Back-calculate chemical shift anisotropy
26 Jun 02:53 2013Charles Schwieters
**Back-calculate chemical shift anisotropy
26 Jun 17:45 2013DAI, JIAN
***Back-calculate chemical shift anisotropy
27 Jun 03:15 2013Charles Schwieters
**Back-calculate chemical shift anisotropy
27 Jun 20:06 2013DAI, JIAN
***Back-calculate chemical shift anisotropy
28 Jun 02:23 2013Charles Schwieters
**Back-calculate chemical shift anisotropy
21 Jun 00:17 2013DAI, JIAN
*How to turn on the violation stats for xplorpot
21 Jun 02:12 2013Charles Schwieters
**How to turn on the violation stats for xplorpot
11 Jun 11:33 2013Gary Thompson
*python potentials signatures and simulations
11 Jun 16:06 2013Charles Schwieters
**python potentials signatures and simulations
10 Jun 12:09 2013Gary Thompson
*cross compiling xplor to another python version