AMBER Archive (2008)

Subject: Re: AMBER: load opls force field

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Thu Nov 13 2008 - 14:32:19 CST

> the files are *not* current OPLS-AA files, but rather united atom files

In particular leap does not handle non-planar impropers that were in
these files. Validation failed and the capability was never added. So
you would have to do some programming to add this feature to the most
convoluted part of the leap code.

Bill
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