AMBER Archive (2004)

Subject: AMBER: exclusion list

From: Guanglei Cui (cuigl_at_csb.sunysb.edu)
Date: Sun Oct 10 2004 - 11:34:38 CDT

Dear all,

Is there a way to turn off the exclusion and include the nonbond energy
among bonded atoms? I tried to mark NUMBER_EXCLUDED_ATOMS section in
prmtop with all zeros? But there was no VDW energy in the output.

Thanks.

Regards,

Guanglei

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