Hi, gromacs-4.0.pdf makes it look like the correct citation is
van der Spoel, D., Lindahl, E., Hess, B., Groenhof, G., Mark, A. E., Berendsen, H. J. C. (2005) GROMACS: Fast, Flexible and Free. J. Comp. Chem. 26, 1701-1718. The README in the current tarball lists * GROMACS: A message-passing parallel molecular dynamics implementation H.J.C. Berendsen, D. van der Spoel and R. van Drunen Comp. Phys. Comm. 91, 43-56 (1995) * GROMACS 3.0: A package for molecular simulation and trajectory analysis Erik Lindahl, Berk Hess and David van der Spoel J. Mol. Mod. 7, 306-317 (2001) I'm wondering, however, if I should cite Hess, B., Kutzner, C., van der Spoel, D. and Lindahl, E. (2008) GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation, J. Chem. Theory Comput., 4, 435-447. Which one is preferred if I just want to say "GROMACS (ref)"? (Apologies in advance: I searched the list archives and looked around on the website, but didn't see the answer in an obvious place.) Thanks, -Michael -- Michael Lerner, Ph.D. IRTA Postdoctoral Fellow Laboratory of Computational Biology NIH/NHLBI 5635 Fishers Lane, Room T909, MSC 9314 Rockville, MD 20852 (UPS/FedEx/Reality) Bethesda MD 20892-9314 (USPS) http://www.umich.edu/~mlerner _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
