On Thu, Mar 15, 2018, Rakesh Srivastava wrote:
> Hello, I want to know that whether is it possible to mention the energy
> gradient value up to which minimization process to be performed, prior to
> starting minimization process. I do not want to run minimization process
> for fixed number of cycles in advance.
Please see the drms input parameter. Generally, energy miminization
options are discussed in Section 17.6.5 of the Amber 2017 Reference
Manual.
....dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Mar 15 2018 - 05:00:02 PDT
