>> 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 ------------------------------------------------------- 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
