Release 1.3.0

GROMOS 11 version 1.3.0 (May 2016)

New functionalities:

• Polarisable force-field code [1].
• Order-parameter restraining [2].
• Distance-field restraining [3].
• Coarse-grained models [4].

References:

1. S.J. Bachmann, W.F. van Gunsteren, On the compatibility of polarisable and non-polarisable models for liquid water, Mol. Phys. 112 (2014) 2761-2780, doi: 10.1080/00268976.2014.910317
2. N. Hansen, F. Heller, N Schmid, W.F. van Gunsteren, Time-averaged order parameter restraints in molecular dynamics simulations, J. Biomol. NMR 60 (2014) 169-187, doi: 10.1007/s10858-014-9866-7
3. A. de Ruiter, C. Oostenbrink, Protein-Ligand Binding from Distancefield Distances and Hamiltonian Replica Exchange Simulations, J. Chem. Theory Comput. 9 (2013) 883-892, doi: 10.1021/ct300967a
4. S. Riniker, J.R. Allison, W.F. van Gunsteren, On developing coarse-grained models for biomolecular simulation: a review, Phys. Chem. Chem. Phys. 14 (2012) 12423-12430, doi: 10.1039/C2CP40934H