Please do give your post a descriptive title... You likely have a serious problem with your topology or with your simulation cell. Can't tell without more information. Did grompp give any warnings? Double check your input.
Cheers, Tsjerk On Feb 7, 2008 9:44 AM, mahendra awale <[EMAIL PROTECTED]> wrote: > hi > > i am doing I am doing a steepest descent for the initial mdrun for a peptide > and it > gives me the following error. > > following step i have done > nohup mdrun -deffnm pr & > > > Range checking error: > > Explanation: During neighborsearching, we assign each particle to a grid > > based on its coordinates. If your system contains collisions or parameter > > errors that give particles very high velocities you might end up with some > > coordinates being +-Infinity or NaN (not-a-number). Obviously, we cannot > > put these on a grid, so this is usually where we detect those errors. > > Make sure your system is properly energy-minimized and that the potential > > energy seems reasonable before trying again. > > Variable ci has value -2147483648. It should have been within [ 0 .. 4913 ] > > Please report this to the mailing list (gmx-users@gromacs.org) > Please advice. > > _______________________________________________ > 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 > -- Tsjerk A. Wassenaar, Ph.D. Junior UD (post-doc) Biomolecular NMR, Bijvoet Center Utrecht University Padualaan 8 3584 CH Utrecht The Netherlands P: +31-30-2539931 F: +31-30-2537623 _______________________________________________ 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
