Quoting Jens Pohl <[EMAIL PROTECTED]>: > >> Hello! > >> > >> I've tried to prepare a file for the mdrun and when I use grompp I get the > >> massage that there is a fatal error in grompp.c line 1111 or line 1109, > >> respectively. > > >What command are you issuing? What's in the .mdp file? What is the *exact* > >error message? > > > >Without this kind of information, you'll get no useful advice. > > > >-Justin > > > >> > >> Thank you very much in advance > > >Jens > > Hello Justin, > > My commands for grompp were: > > grompp -f ../grompp.mdp -po test -c test -p test -pp test_pp -o test > > > The grompp.mdp file is the one that can be found in the manual (long version > with coments) and the output of grompp was: > > ------------------------------------------------------- > Program grompp, VERSION 3.3.1 > Source code file: grompp.c, line: 1109 > > Fatal error: > There were 1 error(s) processing your input > -------------------------------------------------------
The output from grompp should tell you what that error was (right before the fatal error). -Justin > > Jens > > > _________________________________________________________________________ > In 5 Schritten zur eigenen Homepage. Jetzt Domain sichern und gestalten! > Nur 3,99 EUR/Monat! http://www.maildomain.web.de/?mc=021114 > > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > ======================================== Justin A. Lemkul Graduate Research Assistant Department of Biochemistry Virginia Tech Blacksburg, VA [EMAIL PROTECTED] | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/ ======================================== _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
