How to write different DCD files for separate MD runs in one simulation?

From: Yinglong Miao (
Date: Tue Apr 15 2008 - 13:55:14 CDT


I have a question about how to write different DCD files for separate runs
in one NAMD simulation. In one of my simulations, I tried the following:

  DCDfile ${outputname}_1.dcd
  run 200
  DCDfile ${outputname}_2.dcd
  run 200

But it turned out that I cannot name different DCD files for the two run
parts like this:

TCL: Setting parameter DCDfile to 1cwp-vmd-H-out_2.dcd
FATAL ERROR: Setting parameter DCDfile from script failed!

So I am writing to check whether NAMD 2.6 provides such an option. If so,
what did I do wrong? If not, can anybody tell me how to modify the source
code easily for my purpose? Your help will be greatly appreciated.


Yinglong Miao
Ph.D. Candidate
Center for Cell and Virus Theory
Chemistry Department, Indiana University
800 E Kirkwood Ave Room C203A, Bloomington, IN 47405
Tel: 1-812-856-0981

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