Parameter packages – GROMACS format
| GROMACS 3.x and 4.x – ffG54a7 | version 1.6.1 | |
| GROMACS 3.x and 4.x – ffG45a3 | version 1.6 | |
| GROMACS 4.5.x up to 5.x.x – ffG45a3 | version 1.6 | |
| GROMACS 4.5.x up to 5.x.x – ffG54a7 | version 1.6.2 | |
| GROMACS 4.5.x up to 5.x.x – ffG54a8 | version 1.10.1 |
Contains all force-field parameters and building blocks to run simulations of post-translationally modified proteins.
Parameter packages – GROMOS format
| GROMOS – ffG45a3 | version 1.6 | |
| GROMOS – ffG54a7 | version 1.6.2 | |
| GROMOS – ffG54a8 | version 1.10.1 |
Contains all force-field parameters and building blocks to run simulations of post-translationally modified proteins.
Documents
| Diploma thesis – Margreitter | version 1.0 | |
| Vienna-PTM: Establishment of a server extending simulation capabilities of proteins by post-translational modifications |
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| Minimization input file | version 1.0 | |
| Download the mdp file used by the server to minimize the structure | ||
| PDB file format | version 3.2 | |
| This document contains the used PDB file format definition | ||
| Dissertation – Margreitter | version 1.0 | |
| From amino acids to proteins: on the parametrization and automation of molecular simulation |