did you search for "residence time" in the Amber web page? I did, and it
shows many posts. if they aren't what you need, try to be more specific.
good luck!
On Wed, Sep 7, 2011 at 7:18 AM, aiswarya pawar <aiswarya.pawar.gmail.com>wrote:
> 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 - 12:00:02 PDT
