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.
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