README.rst
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3VOTCA-CSG is a collection of tools, which help you to develop coarse
4grained interaction potential from atomistic reference simulations using
5force-matching, boltzmann inversion and others.
6
7Further information on VOTCA can be found at http://www.votca.org
8
9The development of VOTCA is mainly funded by academic research grants.
10If you use this package, please cite the following VOTCA papers:
11
12- | *Relative entropy and optimization-driven coarse-graining methods
13 in VOTCA*,
14 | S.Y. Mashayak, M. Jochum, K. Koschke, N.R. Aluru, V. Ruehle, and C.
15 Junghans,
16 | `PLoS one 10, e131754
17 (2015) <http://dx.doi.org/10.1371/journal.pone.0131754>`__.
18
19- | *Hybrid approaches to coarse-graining using the VOTCA package:
20 liquid hexane*,
21 | V. Ruehle and C. Junghans,
22 | `Macromol. Theory Simul. 20, 472
23 (2011) <http://dx.doi.org/10.1002/mats.201100011>`__.
24
25- | *Versatile Object-oriented Toolkit for Coarse-graining
26 Applications*,
27 | V.Ruehle, C. Junghans, A. Lukyanov, K. Kremer, and D. Andrienko,
28 | `J. Chem. Theo. Comp. 5 (12), 3211
29 (2009) <http://dx.doi.org/10.1021/ct900369w>`__.
30
31In case of questions, please post them in the google discussion group
32for VOTCA at: http://groups.google.com/group/votca
33
34You can contact the VOTCA Development Team at devs@votca.org.
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