replica exchange trans cis isomerisme

From: Jorgen Simonsen (jorgen589_at_gmail.com)
Date: Sat Sep 11 2010 - 03:02:30 CDT

Hi all,

I would like to use NAMD with replica exchange - I have done a little with
amber where it is necessary to induce a chirality constraint so one does not
get cis-isomers of the different amino acids or other chiral which can
happen at high temperatures - is the psf file in namd taking care of this?

Thx,

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