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
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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: