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
  • If you find these additions useful and publish data obtained with it, you are kindly asked to cite the paper

Kapcsolódó publikációk

  • Gyula Batta , Herbert Lindner , István Pócsi , Nikoletta Hegedüs , Éva Leiter , Andrea Eigentler , Anil Kumar Chhillar , Lydia Kaiserer , Bettina Sarg , Ulrike Binder , Katalin E. Kövér , Szabolcs Sándor , Zoltán Gáspári , Teréz Barna , Florentine Marx
    Functional Aspects of the Solution Structure and Dynamics of PAF, a Highly Stable Antifungal Protein from Penicillium chrysogenum
    FEBS J. 276:2875-2890. (2009) Kivonat