On 8/30/17 6:33 AM, Apramita Chand wrote:
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
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