Subject: vibration spectras from force-field calculations

From: [email-masked] (Marc-Heinrich.Prosenc)
Date: Wed, 15 Oct 1997 15:31:26 +0200 (CDT)

dear CCLers,

it would be kind if anyone could tell me if there exist a program that calculates
vibrational spectras from forcefields like MM2 or DISCOVER or HYPERCHEM .... for free ?

do there any public domain routines exist, which are able to refine existing forcefields
like mm2 or amber when the IR-spectrum is given ?

thx in advance

Marc

Marc Heinrich Prosenc
Universitaet Konstanz
78434 Konstanz
Po 5560 M738

[email-masked]