Dear GROMACS users, we want to make a refinement of protein structure by distributed computing MD calculations. For this we need to make random initial coordinates generation for 100 of 100 ps trajectories. It is something like fold...@home strategy uses for folding, but we want to get the trajectory with most significant changes in the structure. Which procedure for random initial parameters generation for such a task can you recommend?
Best regards, Andrew _______________________________________________ gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
