[AMBER-Developers] About switching function in CHARMM and AMBER

From: Pengfei Li <ldsoar1990.gmail.com>
Date: Fri, 3 Feb 2017 14:30:27 -0600

Hi everyone,

I am using CHARMM to do some simulations these days. It seems CHARMM like to use CTONnb and CTOFnb these two keywords to define a switching function. I found AMBER can also use the switching method (but seems only for force, through fswitch keyword). Are the switching method the same in CHARMM and AMBER? Thanks!

Best regards,
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Received on Fri Feb 03 2017 - 13:00:02 PST
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