script for targeted molecular dynamics

From: matziast_at_med.uth.gr
Date: Fri Oct 15 2010 - 03:15:20 CDT

Thank you for your immediate reply. I want to ask you about the form of the
entire script. I have written this:
TMD on
TMDk 200
TMDOutputFreq 100
TMDFile .....pdb
TMDFirstStep 0
TMDLastStep 90000
TMDInitialRMSD 164.6619
TMDFinalRMSD 0

run 100000
What else I have to specify?
parmfile,initial pdb (coordinates), force field parameters?
Thank you in advance.

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:56:12 CST