> -----Ursprüngliche Nachricht----- > Von: Discussion list for GROMACS users <[email protected]> > Gesendet: 25.01.08 15:40:45 > An: Discussion list for GROMACS users <[email protected]> > Betreff: Re: [gmx-users] grompp problem
> > 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 > Yes, there was one Error (ERROR: invalid enum 'yea' for variable gen-vel, using 'no' Next time use one of: 'no' 'yes'). Thank you very much - problem solved (so far) Jens _______________________________________ GRATIS: Movie-FLAT. Jetzt freischalten! http://freemail.web.de/club/maxdome.htm _______________________________________________ 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
