From: Monika Madhavi (monikamadhavi_at_gmail.com)
Date: Wed Mar 27 2019 - 00:26:29 CDT
I have a system of two protein molecules (same type). I wand to move one
molecule while keeping the other molecule fixed and calculate the
interaction energy between the two molecules with relative position.
First, I added harmonic restraints to the backbone atoms of the molecule I
wanted to fix. Then I applied a constant force to all the atoms of the
other molecule and moved it in the direction I wanted.
However, I observed that, as the molecule moves, the protein starts to
unfold. I don't want this to happen. I want to only translate the molecule
without letting it unfold. If any of you can give some suggestions, that is
-- W.A.Monika Madhavi Lecturer (Probation), Department of Physics, University of Colombo.
This archive was generated by hypermail 2.1.6 : Mon Sep 16 2019 - 23:20:29 CDT