Chris Neale
- Email: chris.neale@utoronto.ca
- Registered on:
- Last connection: 03/24/2020
Issues
- Assigned issues: 0
- Reported issues: 86
Activity
10/19/2018
- 11:32 PM GROMACS Feature #1168: g_density does not do what users think it does, given PBC over z and constant pressure simulation
- This bug still exists up (tested in version 2018.3). The effect will be subtle for realistic bilayer fluctuations. I ...
11/07/2017
- 05:35 PM GROMACS Feature #2288 (Accepted): gmx msd doesn't optimally handle missing input trajectory frames
- I am reporting an issue with the gmx msd command from gromacs version 5.1.2. The issue is that when the input .xtc fi...
06/08/2017
- 06:23 PM GROMACS Task #2202 (Closed): stop using cute abbreviations in help files
- For example, gmx traj has the text "-[no]mol Index contains molecule numbers iso atom numbers" where I guess iso mean...
05/31/2017
- 03:43 PM GROMACS Feature #2194: xvg output requested as an output option in place of xpm files
- Not to disregard other formats, but the .xvg output if e.g. gmx pairdist can have an enormous number of columns for c...
05/30/2017
- 11:00 PM GROMACS Feature #2194 (Accepted): xvg output requested as an output option in place of xpm files
- Some analysis tools have output options that would be useful as .xvg files with real numbers but are only provided as...
05/11/2017
- 07:42 PM GROMACS Bug #2171: editconf -h indicates -center defaults to (0,0,0) but that is not true from a user perspective
- Looks good. Thanks Justin.
- 07:14 PM GROMACS Bug #2171: editconf -h indicates -center defaults to (0,0,0) but that is not true from a user perspective
- Thank you Justin. However, it is unclear to me how this code change solves the issue. I think a better text output wo...
05/07/2017
- 11:00 AM GROMACS Bug #2171: editconf -h indicates -center defaults to (0,0,0) but that is not true from a user perspective
- Not sure what "feedback wanted" means. Is it feeback from me? In that case I did try to follow the gerit link but I c...
05/06/2017
- 01:42 AM GROMACS Bug #2171: editconf -h indicates -center defaults to (0,0,0) but that is not true from a user perspective
- OK, but I think we're still talking about different things. I don't care that -center failes without an argument. Wha...
- 08:19 PM GROMACS Bug #2171: editconf -h indicates -center defaults to (0,0,0) but that is not true from a user perspective
- Agreed changing it to -999's is a terrible idea. That was my (clearly bad) way of trying to clarify my point. If peop...
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