[gmx-users] replicates with different random seed

[vijayakumar gosu]

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