Downloads

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 1.6.1
GROMACS 3.x and 4.x – ffG54a8   version 1.7.0
GROMACS 4.5.x up to 5.x.x – ffG54a8   version 1.7.0

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 1.6.1
GROMOS – ffG54a8 version 1.6.1

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
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