Hello Justin, Thank you for providing a tutorial for membrane simulation. I am doing membrane simulation by following your tutorial. When I tried to do energy minimization after inflating the system i got the following result.
Steepest Descents converged to machine precision in 15 steps, but did not reach the requested Fmax < 1000. Potential Energy = 1.6157550e+17 Maximum force = inf on atom 2093 Norm of force = inf So the system is not converged well. I checked the output .gro file the protein came completely out of the bilayer. I tried to fix the problem by increasing the -fc value to 1000000 but still problem continues. Will you please tell me what will be the reason behind this problem and how to fix it. Thank you John K -- View this message in context: http://gromacs.5086.n6.nabble.com/Membrane-simulation-error-during-EM-after-inflation-step-tp5005177.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing list [email protected] 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
