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GROMACS additions for the incorporation of S2 and pairwise NOE distance restraints
- Present additions are written for GROMACS 3.3.1
- Installation instructions can be found in the file 'INSTALL' provided with the package.
- Download tarball with additions
- Any questions, suggestions and comments are welcome! (szpari at chem.elte.hu)
- If you find these additions useful and publish data obtained with it, you are kindly asked to cite the paper:
- Gyula Batta, Teréz Barna, Zoltán Gáspári, Szabolcs Sándor, Katalin E. Kövér, Ulrike Binder, Bettina Sarg, Lydia Kaiserer, Anil Kumar Chhillar, Andrea Eigentler, Éva Leiter, Nikoletta Hegedüs, István Pócsi, Herbert Lindner, Florentine Marx:
Functional Aspects of the Solution Structure and Dynamics of PAF, a Highly Stable Antifungal Protein from Penicillium chrysogenum
FEBS J. (2009) 276:2875-2890.
[abstract]
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