[gmx-developers] implicit solvent model , SASA , generalized born

Giovanni Settanni gs at mrc-lmb.cam.ac.uk
Fri Oct 21 20:29:02 CEST 2005

Hi All,

it was June 2002 when folding at home people showed their interest in
introducing in gromacs fast routines for implicit solvent calculations.
later, on the folding at home web page an explicit mention to gromacs core
version 7A has been made, where a generalized born model for the
implicit treatment of water should be present. In the same page, the
authors mentioned their intention to make that code available to the
public. Did this ever happen? Does gromacs 3.3 contain this code? If so,
is there any documentation available?

Thanks very much

Giovanni Settanni
Centre for Protein Engineering
MRC Centre
Hills Road,
Cambridge, UK
Phone: +44 1223 402133
Fax:   +44 1223 402140

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