AMBER Archive (2009)

Subject: Re: [AMBER] ask for parm99MOD

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Thu May 28 2009 - 14:41:20 CDT

no I think it's one with reduced dihedral barriers for better sampling. one
needs to be careful though, since this probably changes the relative
energies of the minima.

On Thu, May 28, 2009 at 3:38 PM, Adrian Roitberg <roitberg_at_qtp.ufl.edu>wrote:

> 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_at_msn.com
>>> To: amber_at_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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> --
> Dr. Adrian E. Roitberg
> Associate Professor
> Quantum Theory Project
> Department of Chemistry
>
> Senior Editor. Journal of Physical Chemistry
> American Chemical Society
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