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Jonathan Moore

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10/16/2006

08:42 PM GROMACS Bug #101: problems with CVS g_hbond
(In reply to comment #7)
> Jonathan,
> are there any further problems with the current CVS code?
>
I'm not aware o...

10/02/2006

01:58 PM GROMACS Bug #107: -ng option to g_traj has no effect
Yes, I wanted *all* coordinates for *all* atoms in a few groups (not to plot
them) to use to calculate a property for...

09/29/2006

09:41 PM GROMACS Bug #107: -ng option to g_traj has no effect
If -ng is intended only to be used with -mol or -com (I didn't see that in the
documentation), then I guess it isn't ...

09/27/2006

02:16 PM GROMACS Bug #107 (Closed): -ng option to g_traj has no effect
Regardless of what I set for the -ng option for g_traj, it only asks me for one
group.

08/24/2006

05:09 PM GROMACS Bug #101: problems with CVS g_hbond
I got ahold of this version of gmx_hbond.c
* $Id: gmx_hbond.c,v 1.16.2.16 2006/07/03 14:25:08 erikm Exp $
I had some...

08/23/2006

02:37 PM GROMACS Bug #101: problems with CVS g_hbond
If the reverse ordering in -hbm and -hbn output isn't a bug, then the
documentation certainly needs to be updated. ...

08/22/2006

10:56 PM GROMACS Bug #101: problems with CVS g_hbond
Created an attachment (id=65)
test case
Files necessary to reproduce bug. The xtc files has had the solvent removed...
10:42 PM GROMACS Bug #101 (Closed): problems with CVS g_hbond
I'm still having problems with g_hbond.
- The hbond existence matrix in the -hbm output does not match the list of...

04/04/2006

09:46 PM GROMACS Bug #62: g_hbond problem
(In reply to comment #1)
I figured out what the difficulty is. I used a command like:
g_hbond -f filename -s filena...

04/03/2006

08:13 AM GROMACS Bug #62 (Closed): g_hbond problem
I created a hydrogen bond map using g_hbond of version 3.3. The manual
indicates that for the hbmap the "Ordering i...

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