[gmx-users] Re: Is there a test set for GROMACS 3.3.1 ?

maria goranovic mariagoranovic at gmail.com
Wed Oct 3 18:57:39 CEST 2007

I could not see any obvious errors in either the log files or the out files
in angles1 or angles125. grompp.out reports no warning or error either, do I
did not change the maxwarn parameter anyway. Any other suggestions ? Or
should I post the output or log files ?

Then you have to do as it says and check the files in for example
> angles1. Check whether grompp failed and if so why (grompp.out). You may
> have to change the maxwarn parameter in the gmxtest.pl script.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20071003/28181f06/attachment.html>

More information about the gromacs.org_gmx-users mailing list