[gmx-users] force autocorrelation

[Mark Abraham]

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 <khuws at khuws.plus.com> 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 exterted by each atom
> on a single labelled atom?
> Regards
> Ted
>
>
>
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