AMBER Archive (2008)

Subject: Re: AMBER: SPCFW problems

From: David A. Case (case_at_biomaps.rutgers.edu)
Date: Tue Oct 28 2008 - 17:12:02 CDT

On Tue, Oct 28, 2008, Naser Alijabbari wrote:
>
> So the number of bonds containing hydrogen are reduced when using SPCFW?
>

Yes: flexible water models do not have "bonds" between the two hydrogens in
water, but rigid models do. Conversely, rigid models don't have the angle
terms, but flexible waters do.

...dac

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
      to majordomo_at_scripps.edu