Hi today also i faced the same problem while running energy minimisation the error is Reading file 6/out6.tpr, VERSION 3.3 (single precision) Steepest Descents: Tolerance (Fmax) = 1.00000e+03 Number of steps = 500 Stepsize too small, or no change in energy. Converged to machine precision, but not to the requested precision Fmax < 1000 Double precision normally gives you higher accuracy. You might need to increase your constraint accuracy, or turn off constraints alltogether (set constraints = none in mdp file) writing lowest energy coordinates. Steepest Descents converged to machine precision in 40 steps, but did not reach the requested Fmax < 1000. Potential Energy = -7.5853375e+06 Maximum force = 1.5037954e+03 on atom 13171 Norm of force = 3.1627979e+04
how can i overcome this problem.Can anyone help me Thanking you Santosh Naik _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users 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
