[gmx-users] implicit solvent

servaas servaas.michielssens at student.kuleuven.be
Tue Dec 22 16:35:27 CET 2009


Of previous discussions on the list and the wiki  I conclude one can do
implicit solvent simulations in GROMACS with the latest git version, but
that for the moment it is rather slow. I would like to test something
and it is not really a problem that the code is slow. So I guess I could
use GROMACS for this. I would like to run on a protein with oplsaa. 
Is there someone here that successfully did a protein simulation in
GROMACS with implicit solvent and willing to explain the procedure and
share the parameters used (especially force field). 



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