> My guess is that your .mdp file is in windows format with carriage returns. > Try fixing that, or at least testing it > based on what is here: > http://www.gromacs.org/pipermail/gmx-users/2007-July/028457.html > > > Note that you still did not provide nearly enough info. I suggest that you > run grompp then copy the entire span including your > command 'grompp...' to the end of the output. > > Also, I just did a search for your error message: > Source code file: grompp.c, line: 1109 > on the gromacs search site and the first link is this: > http://www.gromacs.org/pipermail/gmx-users/2008-January/031877.html > and the next one in that thread is a putative solution. > > I suggest that look through your output and try to find the error / warning > messages and search them. > > Chris. >
Hello Chris, thank you very much for the links, I guess they will be very helpful now and then (when the next problem occurs). But I guess it was really the problem with the misspelling in the selection (yea instead of yes), because after that I was able to prepare three more proteins for mdrun without any error. Thanks again Jens _______________________________________________________________________ Jetzt neu! Schützen Sie Ihren PC mit McAfee und WEB.DE. 30 Tage kostenlos testen. http://www.pc-sicherheit.web.de/startseite/?mc=022220 _______________________________________________ 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
