i want to find the hydration site on protein molecule ie hydration density
maps which is done by considering the distance of water from the protein and
the looking if the water stays at a particular place how long. the residing
time of water on protein gives the residence time.
On Wed, Sep 7, 2011 at 4:38 PM, Carlos Simmerling <
carlos.simmerling.gmail.com> wrote:
> you'll need to tell us more- residence time of what?
>
> On Wed, Sep 7, 2011 at 3:14 AM, aiswarya pawar <aiswarya.pawar.gmail.com
> >wrote:
>
> > Hi Amber users,
> >
> > i have done MD simulation using gromacs and now i want to calculate the
> > residence time using the amber tool ptraj module. please can anyone tell
> me
> > the steps involved in this analysis.
> >
> > Thanks,
> > Aiswarya
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Received on Wed Sep 07 2011 - 04:30:05 PDT
