> Hello, GMX users, > > My system exploded very soon after mdrun. So I outputted the log file > every step. I found the initial temperature is about 800 K even though I > set ref_T = 300. Why does this happen?
First please tell us you've done energy minimization and checked the structure and resulting trajectory visually to see that things look reasonable there. If so, and there are still problems you'll need to supply a full .mdp and describe the simulation you're trying to run. Mark _______________________________________________ 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
