AMBER Archive (2003)

Subject: Examples for Energy Minimisation methods

From: S.Swaminathan (swamy_at_www.cdfd.org.in)
Date: Tue Apr 01 2003 - 14:35:41 CST


Dear All,

Greetings,
How to do the Energy Minimisation jobs based on algorithms
like :

Conjugate Gradient
Steepest Descent
Truncated Newton

Can you please send some example script files enlightening me
regarding invoking these methods ?
I will be thankful for the same, as I am quite new to
AMBER.

thanks
Swaminathan

======================================================
S.Swaminathan
Technical Officer - Bioinformatics
Centre for DNA Fingerprinting & Diagnostics (CDFD)
ECIL Road, Nacharam,
Hyderabad - 500 076
Tel: 27151344,346 Extn. 1207/1208
======================================================