AMBER Archive (2005)

Subject: Re: AMBER: IGB parameter

From: Furse, Kristina Elisabet (kristina.e.furse_at_vanderbilt.edu)
Date: Wed Jan 19 2005 - 13:33:13 CST

If you haven't already, you can look up the IGB flag in the sander section of
the amber manual and follow the references cited there.
Good luck,
Kristina

Quoting Javier Perez Miron <javier.perez_at_uab.es>:

> Hello amber users,
>
> I would like to know the meaning of IGB parameter.
> This parameter is used in MM/GBSA calculations.
> We have four options for this parameter in mm_pbsa.in:
>
> Tsui's GB (1)
> Onufriev's GB (2),
> Jayaram's et al. GB (3)
> Jayaram's et al. MGB (4).
>
> Where could I find some information about them?
>
> Thanks,
>
> Xavi
>
> Javier Perez
>
> Grup de Química Orgànica Estructural
> Departament de Química
> Universitat Autònoma de Barcelona
> 08193 Bellaterra-Espanya
> Lab.: C7-455
> Tel.: +34 935811266
> http://einstein.uab.es/cjaime/
> http://www.gratisweb.com/xavip/
>
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-----------------------------------------------------------------
Kristina E. Furse
Department of Chemistry
Center for Structural Biology
Vanderbilt University
Email: kristina.e.furse_at_Vanderbilt.Edu
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