George, > I am trying to run mdrun. It always prompts the following message and > creates two pdb files stepN.pdb and #stepN.pdb.1# (where N is > the step > number) in each step. A stepN.pdb has a TITLE line "one step > before crash" > and #stepN-1.pdb.1 has a TITLE "crash". I'd like to know > what's wrong in the > run.
Your system, for some reason is exploding. Could be due to bad minimisation of the system, i.e. there are high energy contacts, or even something like too larger time step. Search on the emailing list for that error, further discussions on it is provided there. Catch ya, Dr. Dallas Warren Lecturer Department of Pharmaceutical Biology and Pharmacology Victorian College of Pharmacy, Monash University 381 Royal Parade, Parkville VIC 3010 [EMAIL PROTECTED] +61 3 9903 9524 --------------------------------- When the only tool you own is a hammer, every problem begins to resemble a nail. _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users 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
