[gmx-users] problem in energy minimization

shailza singh shailza_iitd at yahoo.com
Tue Feb 22 14:33:51 CET 2005

hi all,
i am new to gromacs-3.2.1.while performing energy
minimzation of my protein i got the following
output.No. of solvent molecules added to my protein is

Steepest Descents converged to machine precision in 38
but did not reach the requested Fmax < 1000.
Potential Energy  = -3.0113278e+05
Maximum force     =  2.5221614e+03 on atom 5576
Norm of force     =  1.5863008e+05

Am I going right? Should I go ahead with MD
Please suggest.
Thanking you in advance

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