[gmx-users] Replicating an experiment
NG HUI WEN
HuiWen.Ng at nottingham.edu.my
Sat Dec 25 15:05:39 CET 2010
Dear all,
Merry Xmas! I have a very quick question here which i'd like to pick your brain on, would really appreciate a reply.
I am planning to replicate an experiment that I have carried out. Just wondering what is the best way to do it? I am thinking of changing the starting velocity of my system by setting a random number e.g 23412445 etc in the gen_seed section as below, not sure if it is meaningful to do so?
gen_vel = yes
gen_temp = 300.0
gen_seed = random number
Thank you for your input!
HW
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