[gmx-users] Number of ligand contacts over the trajectories
bipinelmat at gmail.com
Mon Oct 14 09:04:26 CEST 2013
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
> Thanks in advance
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Thanks and Regards,
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