Hello all, I have submitted a paper with 100ns simulations data, however reviewer suggested to provide replicates with different random seeds. I have used below lines in the mdp file of equilibration step for my first simulation. now i am confused for replicates (minimum 2) whether i have to start from equilibration step or i can start from production step using the npt.gro and npt.cpt from first simulation. additionally, I assume that when we have ( for example 3 replicates) we have to consider the average from the 3 simulations data. Please advise me whether my approach is reliable...
nvt.mdp ; Velocity generation gen_vel = yes gen_temp = 300 gen_seed = -1 Thanks in advance Best, Vijayakumar Gosu -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to [email protected].
