[gmx-users] Setting different intial velocities

Apramita Chand apramita.chand at gmail.com
Wed Aug 30 12:33:43 CEST 2017


Dear All,
 While doing NVT equilbration, I'm setting gen_seed=-1,gen_vel=yes and
following it up with NPT equilibration(gen_vel=no) and MD (gen_vel=no).
So if I want to generate different starting conditions by giving initial
velociies differently, I should modify my NVT.mdp file and change the
gen_seed. Is this procedure correct?
Is there any standard values to pass on to gen_seed or any number will do?


Looking forward to your suggestions

Thanking you,
yours sincerely
Apramita Chand


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