Hi guys, I am using simulated annealing for my protein+water+Ion system, I tried to let the system stay at some temperature for a while, e.g.: stay at 600k from 3000ps to 10000 ps, then gradually cool it down to 298k, so my mdp is like:
annealing_time = 0 3000 10000 20000 0 3000 10000 20000 0 3000 10000 20000 annealing_temp = 298 600 600 298 298 600 600 298 298 600 600 298 however, error message is: Found 12 annealing_time values, wanter 9 apparently, the "600 600" does not work, does anyone have any suggestion, or I could only separate the simulation? Thanks very much! Jia -- 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
