AMBER Archive (2003)

Subject: off-diagonal VDW term

From: Jiyoung Heo (jyheo_at_wag.caltech.edu)
Date: Mon May 19 2003 - 20:01:13 CDT

Dear AMBER users,

I am wondering if AMBER generates the parameters for off-diagonal VDW
term using geometric mean or if there is a way to specify the
off-diagonal VDW parameters. It looks like there is no way to set the
off-diagonal VDW parameters.
I want to optimize the off-diagonal interaction for two specific atom
types.
Thank you.

Jiyoung