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@univ.kiev.ua