Subject: HELP WITH TINKER

From: "Gautham Nadig" <[email-masked]>
Date: Wed, 27 Jan 1999 04:49:51 PST

Hello,
I am trying to implement TINKER to run MD on biomolecules. I am unable 
to do a minimization of a tripeptide in solution. the energy blows up.
is there  an example file where i could look into? [it is a tripeptide 
immersed in a 15A cube of tip3p waters]. the minimization in vaccum runs 
fine. minimization/md of water alone runs fine too.

any help is greatly appreciated

gautham

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Monsanto,R&D center, Bangalore, INDIA
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