[SMMP] a modern package for simulation of proteins. F. Eisenmenger, U.H.E. Hansmann, S. Hayryan, C.-K. Hu.

PROGRAM SUMMARY
Title of program: SMMP
Catalogue identifier: ADOJ
Ref. in CPC: 138(2001)192
Distribution format: tar gzip file
Operating system: LINUX
Number of lines in distributed program, including test data, etc: 15804
Keywords: Fortran package, Protein simulation, Monte Carlo, Minimization, Conformation, Biology.
Programming language used: Fortran
Computer: PC Pentium .

Nature of problem:
Molecular mechanics computations and Monte Carlo simulation of proteins.

Method of solution:
Utilizes ECEPP2/3 and FLEX potentials. Includes Monte Carlo simulation algorithms for canonical, as well as for generalized ensembles.

Restrictions:
The consumed CPU time increases with the size of protein molecule.

Typical running time:
Depends on the size of the molecule under simulation.

Unusual features:
None