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
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
--
-------------------------
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
(801) 585-6208 (Fax)
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Nov 30 2014 - 11:00:03 PST
