[gmx-users] Re: force autocorrelation

Thanks, I forgot to mention that I need the force autocorrelation for the forces acting on a single atom. Will the method 1. Run mdrun with nstfout set appropriately 2. g_traj -h 3. g_analyze -h work here Keith -- View this message in context: http://gromacs.5086.n6.nabble.com/force-autoc

[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