Changes between Version 4 and Version 5 of WikiStart
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- 01/06/12 11:36:04 (12 years ago)
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WikiStart
v4 v5 1 = SMMP - Free software for protein simulations = 2 1 {{{ 2 #!rst 3 SMMP - Free software for protein simulations 4 ============================================ 3 5 4 6 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. … … 11 13 More information on SMMP can be found in the manual and the following publications. 12 14 13 *F. Eisenmenger, U.H.E. Hansmann, S. Hayryan and C.K. Hu, [SMMP] A Modern Package for Protein Simulations, Comp.Phys. Comm. 138 (2001) 19215 .. [SMMP2001] F. Eisenmenger, U.H.E. Hansmann, S. Hayryan and C.K. Hu, [SMMP] A Modern Package for Protein Simulations, Comp.Phys. Comm. 138 (2001) 192 14 16 15 *F. Eisenmenger, U.H.E. Hansmann, S. Hayryan and C.K. Hu, An Enhanced Version of SMMP - Open Source Software Package for Simulation of Proteins, Comp.Phys. Comm., 174 (2006) 422.17 .. [SMMP2006] F. Eisenmenger, U.H.E. Hansmann, S. Hayryan and C.K. Hu, An Enhanced Version of SMMP - Open Source Software Package for Simulation of Proteins, Comp.Phys. Comm., 174 (2006) 422. 16 18 17 *J. H. Meinke, S. Mohanty, F. Eisenmenger and U. H. E. Hansmann, SMMP v. 3.0 - Simulating proteins and protein interactions in Python and Fortran, Comp. Phys. Comm., 178 (2008) 459 .18 19 .. [SMMP2008] J. H. Meinke, S. Mohanty, F. Eisenmenger and U. H. E. Hansmann, SMMP v. 3.0 - Simulating proteins and protein interactions in Python and Fortran, Comp. Phys. Comm., 178 (2008) 459 . 20 }}} 19 21 20 22