Dear gromacs user, Thank you for your previous reply. i am doing Energy minimization using Steepest Descent method . When i do that i got the following error r
Steepest Descents converged to machine precision in 35 steps, but did not reach the requested Fmax < 40. Potential Energy = -nan Maximum force = 2.23324790984423e+09 on atom 9566 Norm of force = -nan How to rectify the above error? With Regards S.Vidhya sankar -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * 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
