Improved angle potentials

Here you find a customized version of Gromacs with our improved angle potentials for CG simulations, together with example input files: TORSION-WEB.zip

Please consult the readme-file for a detailed explanation on using these potentials, and the following manuscript in which the methods have been introduced:

M. Bulacu, N. Goga, W. Zhao, G. Rossi, L. Monticelli, X. Periole, D.P. Tieleman, S.J. Marrink. Improved angle potentials for coarse-grained molecular dynamics simulations. JCTC, in press, 2013. DOI:10.1021/ct400219n. abstract

For further questions, please contace Monica Bulacu: This email address is being protected from spambots. You need JavaScript enabled to view it.