gmx rms -skip does not skip - Redmine #2565
Archive from user: Mikko Huhtala
Using the -skip option in gmx rms seems to have no effect. The output
.xvg file with the RMSD values has all frames listed regardless. E.g.
testing on the first 100 ps of a trajectory that has one frame per 1 ps,
I get the same number of lines in the xvg output with these two commands
gmx rms -s topol.tpr -f traj\_comxtc -fit rot+trans -e 100 -n index.ndx
gmx rms -s topol.tpr -f traj\_comxtc -fit rot+trans -e 100 -skip 20 -n
index.ndx
This is on Gromacs 2018.1. Haven’t tested 2018.2 yet.
*(from redmine: issue id 2565, created on 2018-07-05 by gmxdefault, closed on 2018-08-08)*
* Changesets:
* Revision 9801bd62d0e3f25903b113c69796f35907345679 by Paul Bauer on 2018-08-01T16:28:31Z:
```
Fix -skip option for gmx rms
Made sure request to skip points is honored.
Fixes #2565
Change-Id: I518d3f91861f89426020861d0382f5e689f33ba0
```
issue