Dear all
I have been asked to add one more term in the EAM1,SCF during the simulation. The added term is a simple equation that should be considered during EQM calculation.
I don't know where can I find the Energy equation for QMMM simulation, which file?.
Is there any other point should be considered in case of change the original equation (rather than definition of the new implemented parameters).
Cheers
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Aug 07 2011 - 08:00:02 PDT
