Hi everybody I'm trying to do em with l-bfgs integrator but it finishes with 0 steps. My system is 128dppc and 30 per lipid water. when I'm using steep integrator it converged to machine precision say 15 steps. What I'm suggesting is that my system has very bad starting configuration and maybe it is in somekind of local minimum, and because my Gromacs is in single precision it can't get out of that minimum.
Now I'm running 64dppc bilayer without water for 1ns and then I'm going to duplicate it, to minimize the result and then solvate. Am I right???? Any suggestions will be very appreciated. Beforehand THANK YOU __________________________________________________ Do You Yahoo!? Tired of spam? Yahoo! Mail has the best spam protection around http://mail.yahoo.com _______________________________________________ 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
