[MMTK] Radial distribution function?

Victor Manuel Rosas-García quimico69@yahoo.com
Mon, 10 May 1999 14:14:45 -0700 (PDT)


Hello there,

We are doing molecular dynamics (cyclodextrins in water) in the MMTK. 
Is there a radial distribution function (RDF) implemented in the MMTK? 
We can't find it in version 1.2beta.  Although we know about the
pre-release of version 2.0 of the MMTK, we haven't switched because we
are still novice users of version 1.2beta, and we don't dare to try the
new version without the documentation (no slam intended, just caution).
 Is a RDF implemented in version 2.0 or do we have to program the
function from scratch?

Thanx

Victor

===
Victor M. Rosas García
Computational Chemistry Apprentice

e-mail: quimico69@yahoo.com

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