[gmx-users] Using shell script to analyze the results

Kiwoong Kim ilmarejoe at gmail.com
Fri Feb 10 11:49:43 CET 2012


I'm not good at shell programming now.
For the simplicity, I wrote down all the gromacs commands in one shell

It means that if I execute the .sh file, then every works including graphs
used for analysis are done.
However, when there are g_msd -f *.xtc -s *.tpr -o *.xvg -rmcomm, I have to
select the groups manually.
This is quite inconvenient...

Is there any way to handle this??

Thanks in advance
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120210/989136f3/attachment.html>

More information about the gromacs.org_gmx-users mailing list