Hello, I'm equilibrating a Barnase/Barstar complex using OLPS Force Field, but I'm not sure which parameters I should use for PME. at the moment I'm using the following parameters:
coulombtype = PME fourierspacing = 0.12 pme_order = 4 rlist = 1.0 rcoulomb = 1.0 rvdw = 1.0 Temperature Coupling ist turne on (berendsen) and Pressure Coupling is turend off. The size of the box is 4x5.8x10 nm. thanks Kobi -- "Feel free" mit GMX FreeMail! Monat für Monat 10 FreeSMS inklusive! http://www.gmx.net _______________________________________________ gmx-users mailing list [email protected] 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
