[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Optimize in Modeller 6v2



Dear all,


It is possible, that you have received this message already.
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: