Dear I have defined pH = 7.0 in mdp file according to tutorial but it shows an error. what is the criteria to set the different pH in .mdp file. -- Pawan -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20100509/ca88da02/attachment.html>