AMBER Archive (2005)

Subject: AMBER: IGB parameter

From: Javier Perez Miron (javier.perez_at_uab.es)
Date: Wed Jan 19 2005 - 11:09:38 CST


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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