[gmx-users] doing exact continuation

Hi everyone, I want to do an exact continuation with saved configuration and velocity. What are the options that i need to change in mdp file? I know i have to make unconstrained_start = yes. Anything else? The reason i am asking this is that it is kind of difficult to make sure if i am doing th

Re: [gmx-users] doing exact continuation

Amit Choubey wrote: Hi everyone, I want to do an exact continuation with saved configuration and velocity. What are the options that i need to change in mdp file? I know i have to make unconstrained_start = yes. Anything else? The reason i am asking this is that it is kind of difficult to ma