Hi all, I am trying to stretch protein using gromacs 4.0 umbrella options. (please see mdp file in attachment). This is quite large 136 amino acids protein which I want to stretch completely using sets of mdp files with 250000 numbers of steps. To perform these simulations I have to be able to continue my MD simulation after each successful run. Could you give me advice which options I should add or change to perform these simulations in a correct way.
Thanks a lot in advance Maksim Kouza _______________________________________________ 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/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/mailing_lists/users.php
