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

Re: [modeller_usage] conjugate gradients or molecular dynamics optimizations with automodel.make()

On 7/14/14, 8:39 PM, Li SUN wrote:

I have a question regarding the usage of automodel.make() for modelling
a protein structure from known structures. Does this function include
optimization methods e.g. conjugate gradients or molecular dynamics so
that it will output a structure close to the native state (lowest-energy
state)

Yes, of course. See http://salilab.org/modeller/9.13/manual/node485.html

	Ben Webb, Modeller Caretaker
--
modeller-care@salilab.org             http://www.salilab.org/modeller/
Modeller mail list: http://salilab.org/mailman/listinfo/modeller_usage