Re: [gmx-users] Setting different intial velocities

2017-08-30 Thread Justin Lemkul
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

[gmx-users] Setting different intial velocities

2017-08-30 Thread Apramita Chand
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