Stephane Abel wrote:
Hi all,
I would like to use g_sas to compute and give surface area changes of
each residu of a peptide (25 AA long) and *not* the average per residu
given by the argument -or) along the simulation time. If yes how ? Of
course, i think, i can use an index file, but for 25 AA, it will take a
long time.....
Others alternatives are welcome :-) .
Aside from modifying the code to do this, I don't see a way that g_sas will
produce what you want in a single run.
-Justin
Thank you in advance for your response
Stephane
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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