AMBER Archive (2008)

Subject: Re: AMBER: load opls force field

From: David A. Case (case_at_biomaps.rutgers.edu)
Date: Thu Nov 13 2008 - 06:06:40 CST

On Thu, Nov 13, 2008, oguz gurbulak wrote:
>
> How can I load opls force field (  opls_parm.dat, opls_*.in files ) into leap?

You would use the LoadAmberParams and LoadAmberPrep commands. But be very
careful: the files are *not* current OPLS-AA files, but rather united atom
files that are more than two decades old. Don't use these unless you are sure
you know what you are doing. If you need a united atom force field, consider
ff03ua instead.

...dac

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