sunny mishra wrote:
Dear All,
I am trying to run the Position Restrained simulation for the Coarse
Grained DSPC bi-layer. However, I am quite confused that how to generate
the position restraint file for the CG atoms in lipid. Is there a
difference between the position restraint file for the fine grained and
coarse grained structures. Please let me know how to generate the
position restraint file for Coarse Grained DSPC bi-layer. Your reply for
the same will be highly appreciable.
You can generate a position restraint file for any molecule using genrestr.
Just make sure to supply it with a coordinate file for a single molecule (i.e.,
not your entire bilayer), since position restraints are applied to
moleculetypes, and not global structures.
-Justin
Thanks,
Sunny
--
========================================
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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