Computational Biophysical Chemistry
The SMMP (Simple Molecular Mechanics for
Proteins) package is designed for molecular simulation of linear
proteins using torsion angles as internal degrees of freedom.
The package contains
various modern Monte Carlo algorithms and energy minimization
routines. The energy of the protein can be calculated by exploiting
different force fields. Subroutines
for approximating protein-solvent interaction by means of calculating
the solvent accessible area of atomic groups are included.
SMMP is offered as open code and we encourage users to re-write code
or add their own modules. Use and distribution
of the program is governed by the
GNU General Public License,
but we also ask you to acknowledge use of SMMP in all resulting publications.
For more details on SMMP, see our papers
Copies of the program are available from the program library of Computer Physics Comunications; or can be obtained