RE: removing water from DCD

From: Pijush Ghosh (
Date: Wed Jul 20 2005 - 22:03:20 CDT

    One way is to use CATDCD and extract only the non-water atoms. But check
there could be some other ways also.
   Hope this helps you.

Pijush Ghosh
PhD Student
Department of Civil Engineering
North Dakota State University
Fargo. ND. 58105. USA
-----Original Message-----
From: [] On Behalf
Of Stern, Julie
Sent: Wednesday, July 20, 2005 7:49 PM
Subject: namd-l: removing water from DCD

    What is the best way to remove water
from the DCD file after it has been created?
Are there any postprocessing tools for this?



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