> ; Berendsen temperature coupling is on in two groups > Tcoupl = berendsen > tc-grps = Protein SOL NA+ > tau_t = 0.1 0.1 0.1 > ref_t = 300 300 300
Althought I doubt it is the root cause of your problems, coupling solvent and ions separately is a bad idea. http://wiki.gromacs.org/index.php/Thermostats -Justin ======================================== Justin A. Lemkul Graduate Research Assistant Department of Biochemistry Virginia Tech Blacksburg, VA [EMAIL PROTECTED] | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/ ======================================== _______________________________________________ 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
