Dear AMBER Users and Experts,
I was wondering if prior to setting up a simulation, it is possible to
somehow re-weight the backbone interactions such that they have "negligible
effect" while the sidechain interactions stand out? Essentially, my
intention is to capture the effect of sidechain interactions only (say for
a protein-protein interaction simulation) while making the backbone
interactions be minuscule.
I understand that during trajectory post-processing I can "mask" the
backbone interactions while only considering the sidechain effects but was
wondering if it is possible to set it up prior to running a simulation.
Thank you. I look forward to hearing from you.
-PN
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Feb 08 2024 - 12:30:02 PST
