RE: [AMBER] ask for parm99MOD

From: xiaoqin huang <xqhuang1018.msn.com>
Date: Thu, 28 May 2009 20:51:59 +0100

yes, thanks, I want to test this parm99MOD2 on the protein I am simulating, and compare with that of parm99.dat used in ff02.

> From: carlos.simmerling.gmail.com
> Date: Thu, 28 May 2009 15:44:41 -0400
> Subject: Re: [AMBER] ask for parm99MOD
> To: amber.ambermd.org
>
> 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 - 01:12:54 PDT
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