ok sir . I wil try.
thanking you
On Mon, Dec 1, 2014 at 12:12 AM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Hi,
>
> You can do this with the 'surf' command in cpptraj, which will
> calculate the LCPO surface area. Be careful though, since LCPO is only
> a rough estimate of SASA, particularly if you are only looking at a
> small subset of atoms.
>
> -Dan
>
> On Thu, Nov 27, 2014 at 10:43 AM, Mary Varughese <maryvj1985.gmail.com>
> wrote:
> > sir,
> > I am sorry but how to extract sasa? ( I am familiar with it in mmpbsa
> only)
> >
> > thanking you
> >
> > On Thu, Nov 27, 2014 at 5:04 PM, Jason Swails <jason.swails.gmail.com>
> > wrote:
> >
> >>
> >> > On Nov 27, 2014, at 1:00 AM, Mary Varughese <maryvj1985.gmail.com>
> >> wrote:
> >> >
> >> > sir,
> >> >
> >> > then could i extract "solvent exposed surface area of those residues"
> >> > from the trajectory data
> >>
> >> Sure.
> >>
> >> --
> >> Jason M. Swails
> >> BioMaPS,
> >> Rutgers University
> >> Postdoctoral Researcher
> >>
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>
> --
> -------------------------
> Daniel R. Roe, PhD
> Department of Medicinal Chemistry
> University of Utah
> 30 South 2000 East, Room 307
> Salt Lake City, UT 84112-5820
> http://home.chpc.utah.edu/~cheatham/
> (801) 587-9652
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Received on Sun Nov 30 2014 - 18:00:02 PST
