AMBER Archive (2003)

Subject: Re: tip5p water model

From: Carlos Simmerling (carlos.simmerling_at_sunysb.edu)
Date: Thu Mar 13 2003 - 11:58:31 CST

does amber6 refer to some force field?
you need to find out which force field you
are using- they are not called amber5 or amber6.
It is Cornell et al. Weiner at al, etc.
amber6 is a version of the AMBER software program
and it looks like you aren't using AMBER software.

----- Original Message -----
From: "Marvin Rich" <mr23_at_i4.nyu.edu>
To: <amber_at_heimdal.compchem.ucsf.edu>
Sent: Thursday, March 13, 2003 12:44 PM
Subject: tip5p water model

> Hello,
>
> I have been using the tip5p water model with amber6 and cvff, running both
> through InsightII software. I notice that the N-H - O (wat) hydrogen bond
> is less than the C=O -H(wat) hydrogen bond when using amber6 (with the
> tip5p model) in a simple dialanine water system. This is not the case
> when using amber6 with tip3p, or when the tip5p is implemented with the
> cvff forcefield.
>
> Has anyone used tip5p with amber5 or 6 and noticed these irregularites?
> Any suggestions or comments would be appreciated.
>
> Thanks
>
>
> Marv Rich
> marvin.rich_at_nyu.edu
>
>