Computational Biophysical Chemistry

Hansmann Group

Contact us at:
Dept. of Chemistry and Biochemistry
University of Oklahoma
101 Stephenson Parkway
Norman, OK 73019-5251,USA

Tel:  -405-325-2386
Fax:  -405-325-6111
E-mail: uhansmann at

SMMP - A free software for protein simulations

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

or the project page on berliOS. Development of SMMP has been supported, in part, by the National Science Foundation as part of the research grants CHE-9981874,0313618 and 0809002.

Copies of the program are available from the program library of Computer Physics Comunications; or can be obtained