Dear Amber users
When
using the MM-GBSA method (
All calculations performed using mm_pbsa.pl )
as implemented in AMBER 12 to calculate the binding free energy.I
performed a calculation of the entropy contribution to binding in our stystem .I want to know that how to set the value of that drms (Convergence criteria for minimized energy gradient) involved in nmode namelist variables ? By this wayŁ¬the value can ensure that my calculations of the entroy contribution work well.
Can anyone help me?Thanks for your help in advance
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Received on Thu May 08 2014 - 23:30:02 PDT
