Re: [gmx-users] force autocorrelation

1. Run mdrun with nstfout set appropriately 2. g_traj -h 3. g_analyze -h 4. Profit! Mark On Tue, Dec 11, 2012 at 3:31 PM, khuws wrote: > Hi > Does anyone know if, and if so how, GROMACS can generate a force > autocorrelation function? > If this is not possible then can I extract the force exter

[gmx-users] force autocorrelation

Hi Does anyone know if, and if so how, GROMACS can generate a force autocorrelation function? If this is not possible then can I extract the force exterted by each atom on a single labelled atom? Regards Ted -- View this message in context: http://gromacs.5086.n6.nabble.com/force-autocorrelati