> ; Berendsen temperature coupling is on in three groups > Tcoupl = berendsen > tau_t = 0.1 0.1 0.1 > tc-grps = protein SOL CL- > ref_t = 300 300 300
This could also be problematic. Solvent and ions should not be coupled separately. See http://wiki.gromacs.org/index.php/Thermostats for an explanation, or the many posts in the archives regarding this issue. -Justin ================== Justin A. Lemkul Graduate Research Assistant Department of Biochemistry Virginia Tech Blacksburg, VA [EMAIL PROTECTED] (540) 231-9080 ================== _______________________________________________ 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
