Hi, I would appreciate some advice on running Langevin dynamics in GROMACS. I plan to do a coarse-grained simulation in vacuo (ie 4 'atoms' to 1 particle) and was wondering what sort of value to use for the frictional term? I'm guessing that as each particle is heavier than in atomistic simulations, the frictional term should be scaled up too?
Many thanks, -Syma *************************************************** Dr Syma Khalid Department of Biochemistry, University of Oxford South Parks Road, Oxford OX1 3QU U.K. *************************************************** _______________________________________________ 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
