NDON! and NACC! in Parameter Files

From: Joshua D. Moore (jdmoore_at_unity.ncsu.edu)
Date: Thu May 18 2006 - 19:10:28 CDT

Hi everyone,

When using paraTypeCharmm on, this invokes the CHARMM22 force field as
implemented in NAMD, correct?


If NDON and NACC are included in the .psf, are these used in any of the MD

Some places I have found say that these are only used in analysis.
However, if you have a number in the NDON or NACC spot, NAMD expects to
read an NDON and NACC as I have found. You just can't make it zero and
leave them out.


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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