Question about Generating DCD files with only specified atoms

From: Joshua D. Moore (jdmoore_at_unity.ncsu.edu)
Date: Thu Dec 22 2005 - 18:06:09 CST

Is it possible to write DCD files (and VELDCD files) during a NAMD run
where only specified atoms are written. For example, I have a lot of
water that I need to simulate, but I don't need it at all for analysis
purposes. Can I not write the water in the DCD files so that the files
will be smaller?

Thanks.

Josh

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Joshua D. Moore
Graduate Student
North Carolina State University
Department of Chemical and Biomolecular Engineering
Box 7905 Centennial Campus
Engineering Building I
911 Partners Way
Raleigh, NC 27695-7905
Phone: (919) 513-2051
Fax: (919) 513-2470
Email: jdmoore_at_unity.ncsu.edu
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