Editing GAFF force field
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[http://ambermd.org/antechamber/gaff.html GAFF] ('''g'''eneral '''A'''MBER '''f'''orce '''f'''ield) | [http://ambermd.org/antechamber/gaff.html GAFF] ('''g'''eneral '''A'''MBER '''f'''orce '''f'''ield) is designed for rational drug design. GAFF is compatible to the [[AMBER forcefield |AMBER force field]] and it has parameters for almost all the organic molecules made of [[Carbon |C]], [[Nitrogen |N]], O, H, S, P, F, Cl, Br and I. As a complete force field, GAFF is suitable to study a large number of molecules in an automated fashion. | ||
==Functional form== | ==Functional form== | ||
==Parameters== | ==Parameters== | ||
==References== | ==References== | ||
#[http://dx.doi.org/10.1002/jcc.20035 Junmei Wang, Romain M. Wolf, James W. Caldwell, Peter A. Kollman, David A. Case "Development and testing of a general amber force field", Journal of Computational Chemistry '''25''' pp. 1157-1174 (2004)] | |||
[[category: Force fields]] | [[category: Force fields]] |