Question about Generating DCD files with only specified atoms

From: Joshua D. Moore (
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?



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

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