Hi, I have a system in which I apply a posres on one atom. During em or md I get an error that I never had before:
------------------------------------------------------- Program mdrun, VERSION 4.0_rc2 Source code file: mtop_util.c, line: 642 Software inconsistency error: Position restraint coordinates are missing ------------------------------------------------------- Grompp runs withouth errors. When stargting mdrun, I get the error. The error is most likely in grompp: When running an older CVS-grompp (from last July), mdrun(4.0) works fine. When using the 4.0-grompp with the 4.0-mdrun, the error occurs. Or do I miss something? cheers, Jochen -- ************************************************ Dr. Jochen Hub Max Planck Institute for Biophysical Chemistry Computational biomolecular dynamics group Am Fassberg 11 D-37077 Goettingen, Germany Email: jhub[at]gwdg.de Tel.: +49 (0)551 201-2312 ************************************************ _______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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
