Please just tell me how values of obtained T by g_traj can be corrected > when I use trajectory and tpr files of constrain MD simulations (OPLS) as > an input? >
T(corrected) = T(g_traj)*natoms/(natoms-nconstraints) Cheers, Tsjerk -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
