PME (particle mesh ewald) supported by Xplor?
dek at socrates.ucsf.edu
Wed Jun 12 11:23:00 EST 1996
Hi, I'm experienced with MD but not with XPLOR (just AMBER). I've
been evaluating PME (particle mesh ewald) using AMBER and have had
very favorable results for modelling nucleotides using free MD.
I'm interesting in duplicating my results using XPLOR-- however, I
can't find any documentation for XPLOR that mentions support for PME.
(it doesn't seem to be in the 3.1 manual, and no web searches came up with
positive results (nor in the literature, which is more poorly indexed).
David E. Konerding
dek at cgl.ucsf.edu
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