[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
7594.
Steepest Descents converged to machine precision in 38
steps,
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
simulations?
Please suggest.
Thanking you in advance
shailza.
________________________________________________________________________
Yahoo! India Matrimony: Find your life partner online
Go to: http://yahoo.shaadi.com/india-matrimony
More information about the gromacs.org_gmx-users
mailing list