AMBER Archive (2009)

Subject: Re: [AMBER] Atome Type

From: David A. Case (case_at_biomaps.rutgers.edu)
Date: Thu Jan 29 2009 - 07:08:09 CST

On Thu, Jan 29, 2009, Mahmoud A. A. Ibrahim wrote:

> According to Parm96-99, HO is defined as hydroxyl group, but in
> Frcmod.ff03 HO is defined as H aliph. bond. to C with 1 electrwd.

This is incorrect. The entry in frcmod.ff03 is "H0" (H followed by
zero) not "HO" (H followed by the capital letter O).

In any event, you should probably not be mixing ff03 with parm96(!?!)

...dac

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