Free MD simulation (Production run)

From: Roshan Shrestha (
Date: Fri Sep 08 2017 - 02:32:50 CDT

Dear all,
           Here, emin.pdb and sim_fixprot.pdb are the coordinates files
obtained after running minimization and position constraint MD. I have
attached my conf file for running Production run after position constraint
MD. My query is:- In input coordinates section of the configuration; shall
I use sim_fixprot.pdb (obtained after position constraint MD) or emin.pdb
(obtained after minimization.

Roshan Shrestha
M.Sc (Physics)
Central Department of Physics, Tribhuvan University
Kathmandu, Nepal

This archive was generated by hypermail 2.1.6 : Mon Dec 31 2018 - 23:20:35 CST