Thanks Francesca but even after commenting out the coupling parameters in the mdp file if I run mdrun without the '-coarse' option I still get the error that the xtc file cannot be written.
However like I mentioned I am running my simulations with a newer version of Gromacs after releasing the restraints but I thought I should update this discussion because when I first got this error it took me a while to figure out what was wrong and I referred to this discussion but there was no particular solution. I just wanted to put it out there that mdrun trying to couple to the CG structure might be a cause for this error. Sheeba ----- Sheeba J. Irudayam Postdoctoral Researcher Department of Chemistry University of North Carolina at Chapel Hill isheeba[at]email.unc.edu -- View this message in context: http://gromacs.5086.n6.nabble.com/mdrun-on-GROMACS-3-3-1-tp4458897p5000673.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
