Carlos,
The forcefield is that of Cornell et.al, but running through Insight using
parm96.dat (which I referred incorrectly to as Amber6). I would assume the
simulations would produce the same results as if run using Amber software.
Marv Rich
On Thu, 13 Mar 2003, Carlos Simmerling wrote:
> 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.i4.nyu.edu>
> To: <amber.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.nyu.edu
> >
> >
>
>
Received on Thu Mar 13 2003 - 18:53:01 PST
