On Sat, 21 Jun 2003, Bert de Groot wrote: > nmrun is now integrated in mdrun. use integrator = nm in the .mdp file. > I thought the docu was updated. Where did you find a reference to nmrun? > > Bert Thanks David and Bert. The documentation I found was at: http://www.gromacs.org/documentation/reference_3.1/online.html Thanks again, Mark