CHARMM: VDISTANCE keyword in NBOND options
- From: Jeff Nauss <jnauss' at \`accelrys.com>
- Subject: CHARMM: VDISTANCE keyword in NBOND options
- Date: Fri, 15 Jun 2001 10:50:34 -0400
Within CHARMM, I came across a keyword VDISTANCE while examining some of
the options for nonbonded specifications. It is used as a suggested
nonbonded specification in the CHARMM27 force field as well as the
and Rone force field.
Researching that option, I found in old c24 documentation that it is a
"distance specified Van der Waal function" with no further
could not find any mention of VDISTANCE in the c27 documentation. In
tests with the option, there appears to be no effect on the
Might anyone have any further information? Might it be a mere fossil or relic?
Thank you in advance...
Jeffrey L. Nauss, PhD Phone: (858) 799-5555
Life Science Customer Training Fax: (858) 799-5100
Accelrys E-mail: jnauss' at \`accelrys.com
9685 Scranton Road http://www.accelrys.com/training/lifesci/
San Diego, CA 92121-3752
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