[gmx-users] Number of ligand contacts over the trajectories

[bipin singh]

g_mindist with -on and -d option.


On Mon, Oct 14, 2013 at 11:37 AM, anu chandra <anu80125 at gmail.com> wrote:

> Dear Gromacs users,
>
> I am working with protein-ligand interaction. I would like to calculate the
> number of contacts ligand make with the protein within a specific cut off (
> say within 3.5 to 4.5 angstroms), along the simulation trajectories. Is
> there any Gromacs analysis script, which can help me with doing this
> calculation?
>
> Thanks in advance
>
> Regards
> Anu
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-- 
*-----------------------
Thanks and Regards,
Bipin Singh*