my personal opinion is that modifying backbone dihedral potentials to
correct for problems in the solvent model is not going to be transferable
among systems. also be very careful if you use this force field to exactly
math the GB model and radii to the ones used in the training.
On Thu, May 28, 2009 at 3:41 PM, xiaoqin huang <xqhuang1018.msn.com> wrote:
>
> sorry, I mean parm99MOD2, which is good for GB simulations.
>
>
> > Date: Thu, 28 May 2009 15:38:23 -0400
> > From: roitberg.qtp.ufl.edu
> > To: amber.ambermd.org
> > Subject: Re: [AMBER] ask for parm99MOD
> >
> > would you mind clarifyng what the parm99MOD is ?
> > I have a suspicion that you refer to the hornak et al force field, which
> > would then can be found in amber as 99SB
> >
> > Adrian
> >
> >
> >
> > xiaoqin huang wrote:
> > > got it, modify 4 torsional potentials.
> > >
> > >
> > >
> > >> From: xqhuang1018.msn.com
> > >> To: amber.ambermd.org
> > >> Date: Thu, 28 May 2009 14:16:35 -0400
> > >> Subject: [AMBER] ask for parm99MOD
> > >>
> > >>
> > >> hi, anyone can help me to find where is the parm99MOD set? I need it
> for GB simulations.
> > >> thanks a lot
> > >>
> > >> xiaoqin
> > >>
> > >> 05/28/2009
> > >>
> > >>
> > >> _________________________________________________________________
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Received on Fri May 29 2009 - 01:12:44 PDT
