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OPTIMIZE
- To: modeller_usage@listsrv.ucsf.edu
- Subject: OPTIMIZE
- From: Bozidar Yerkovich <bozidar AT salilab.org>
- Date: Mon, 26 Aug 2002 08:17:02 -0400 (EDT)
- Cc: alextk AT univ.kiev.ua
from Alex:
Dear all,
I would like to optimize a protein model using molecular dynamics
approach,
but I have a problem with choosing of parameters for OPTIMIZE command
(MD_TIME_STEP, MAX_ITERATIONS, TEMPERATURE etc).
Does anybody know a suitable MD script for model optimization in Modeler
6.2?
Thank you very much for your kind help!
With best regards,
Alex Bazilevsky
------------------------------
Alex Bazilevsky
PhD student
Protein Engineering Departmant
Institute of Molecular Biology & Genetics
150 Acad. Zabolotnogo Street
Kiev, 03143, Ukraine
Tel.: 38 044 266-5589, Fax: 38 044 266-0759
E-mail: alextk AT univ.kiev.ua