Dear All! I'd like to perform several simulations of the membrane protein started from the common conditions which differs only in the initial velocities ( for each simulation random speed distribution will be used from the Maxwell distribution).
Because I simulate membrane protein the long equilibration phase is required for that system. I've noticed that new velocities sets are assigned in the NVT phase of equilibration (100ps) after which more prolongest npt equilibration (10ns) is followed. Does it require that new velocities always be assigned exactly during equilibration of my system ? Could I use new velocities in the production md run instead ? In the latter case my system will be equilibrated with one velocities but further production MD will be with another velocities each time? (so in latter case I can avoid long equilibration phase for each simulation). James -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
