Re: Get restart file (restart.coor) from DCD

From: Joshua D. Moore (joshuadmoore_at_gmail.com)
Date: Mon Mar 28 2011 - 20:18:11 CDT

You could use VMD or catdcd

With catdcd something like

catdcd -otype namdbin -o filename.coor -first $lastframe filename.dcd

where $lastframe is the last frame in the *dcd file.

This is not as accurate as restarting from a binary restart file created by
NAMD, which is in double precision. The coordinates in a *dcd are only
single precision. But if you've lost your restart files, this is what I'd
do.

On Mon, Mar 28, 2011 at 6:41 PM, Ismail, Mohd F. <farid_at_ou.edu> wrote:

> Is there a way to get the final restart file from the DCD file? Any
> utilitites maybe?
>
> --Farid
>
>

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