Re: [gmx-users] restarting jobs using tpbconv and grompp : with regards to gen_vel

himanshu khandelia wrote: Check out http://wiki.gromacs.org/index.php/Doing_Restarts Thanks very much. I do understand the general restarting mechanism. It is only the first restart that was a little bit confusing > > I j

Re: [gmx-users] restarting jobs using tpbconv and grompp : with regards to gen_vel

> Check out http://wiki.gromacs.org/index.php/Doing_Restarts Thanks very much. I do understand the general restarting mechanism. It is only the first restart that was a little bit confusing > > > I just wanted to confirm if what I am doing makes sense ? Thanks very > > much for the help ! > > T

Re: [gmx-users] restarting jobs using tpbconv and grompp : with regards to gen_vel

This question is about trying to make sure that I am doing the right thing while trying to use tpbconv to restart jobs. After minimization, for the first dynamics run, I use gen_vel = yes. For subsequent restart runs however, gen_vel must be set to no. After the first dynamics run of 200ps, my

Re: [gmx-users] restarting jobs using tpbconv and grompp : with regards to gen_vel

himanshu khandelia wrote: Hi This question is about trying to make sure that I am doing the right thing while trying to use tpbconv to restart jobs. Check out http://wiki.gromacs.org/index.php/Doing_Restarts After minimization, for the first dynamics run, I use gen_vel = yes. For subsequent

[gmx-users] restarting jobs using tpbconv and grompp : with regards to gen_vel

Hi This question is about trying to make sure that I am doing the right thing while trying to use tpbconv to restart jobs. After minimization, for the first dynamics run, I use gen_vel = yes. For subsequent restart runs however, gen_vel must be set to no. After the first dynamics run of 200ps, my