[gmx-users] Solvent molecules within a certain distance of solute

[Erik Marklund]

g_hbond and g_hbond -contact

Erik

On 22 May 2013, at 05:37, Vishal Kumar Jaiswal <vishal3990 at gmail.com> wrote:

> Hello gromacs users
> 
> I performed a 1 ns simulation of N-isopropylamide in water. Now i wish to
> calculate the average no of water molecules(averaged over entire
> trajectory) within a certain distance of solute and no. of  water molecules
> that form H-bonds with solute.
> 
> Could you guide me as to what tools are appropriate for this
> 
> Vishal
> Undergraduate student
> IITG
> -- 
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