[gmx-users] About EM
scvsankar_agr at yahoo.com
Sun Jul 29 12:08:29 CEST 2012
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
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?
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