Re: how to get the restart files from the dcd file?

From: Jeff Comer (
Date: Sun Dec 20 2015 - 12:06:17 CST

You can easily make a .coor file from the .dcd.

set all [atomselect top all]
$all writenamdbin blah.psf


Jeffrey Comer, PhD
Assistant Professor
Institute of Computational Comparative Medicine
Nanotechnology Innovation Center of Kansas State
Kansas State University
Office: P-213 Mosier Hall
Phone: 785-532-6311

On Sun, Dec 20, 2015 at 3:02 AM, Azadeh Alavi <> wrote:

> Dear Namd users,
> Unfortunately, I have forgotten to use the "restratsave" command in my
> configuration file and I want to restart from a few nanoseconds before my
> last timestep. My simulations are in NPT ensemble. I would be grateful if
> you could tell me how to get the restart files, especially the .xsc file,
> from the dcd file I have or any other way possible.
> Thank you very much.
> Best regards,
> Azadeh

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