If I preped the tpr using amber forcefields, could that be the reason? The mdrun I am using does not have any force field libraries in its directory.
On Sat, Dec 26, 2009 at 11:57 PM, Mark Abraham <mark.abra...@anu.edu.au> wrote: > Jack Shultz wrote: >> >> I preped this ligand using acpypi followed by grompp >> grompp -f em.mdp -c ligand_GMX.gro -p ligand_GMX.top >> I tested this .tpr file on my server. WheI had another computer run it >> I get the following message. However we are using the same versions of >> gromacs. >> >> Back Off! I just backed up md.log to ./#md.log.2# >> >> ------------------------------------------------------- >> Program mdrun, VERSION 4.0.5 >> Source code file: tpxio.c, line: 1643 >> >> Fatal error: >> Can not read file topol.tpr, >> this file is from a Gromacs version which is older than 2.0 >> Make a new one with grompp or use a gro or pdb file, if >> possible >> ------------------------------------------------------- > > I'd say it's evident that if the file is not corrupted (use gmxcheck), the > GROMACS installations weren't the same (unmodified) version. Reproduce the > conditions and run grompp -h to inspect the version. > > Perhaps you are having a problem with a shared-library mismatch. > > If you have such an old version of GROMACS around, either uninstall it and > retire the sysadmin, or send the computer to a museum :-) > > Mark > > -- > gmx-users mailing list gmx-us...@gromacs.org > http://lists.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 gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > -- Jack http://drugdiscoveryathome.com http://hydrogenathome.org -- gmx-users mailing list gmx-users@gromacs.org http://lists.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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php