Re: [gmx-users] RE: LIE methodology check

On 23/05/2012 8:36 AM, Tom Dupree wrote: Greetings all, I now realise I asked too many questions with that one post. I would like to check that mdrun -rerun can be used to do single point energy calculations on the co-ordinate frames from my trajectory using a different electrostatic model by c

[gmx-users] RE: LIE methodology check

Greetings all, I now realise I asked too many questions with that one post. I would like to check that mdrun -rerun can be used to do single point energy calculations on the co-ordinate frames from my trajectory using a different electrostatic model by changing the .mdp file used by grompp to bui