Dear All, Although I have set gen_temp = 300, it is showing the initial temperature 445.7 K, generated at the very beginning of the run.
gen_vel = yes ; velocity generation gen_temp = 300 gen_seed = 93873959697 Is it because of a bad geometry? In mailing list I came across this thread [ http://comments.gmane.org/gmane.science.biology.gromacs.user/41931] Prior to this production run, I heated my system slowly from 0 K to 300 K within 300 ps time span. It would be very helpful if someone suggests me the way to deal with this problem? Thanks, Tarak -- 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
