[gmx-users] (no subject)

balamurugan r biobee at rediffmail.com
Mon Mar 21 19:34:49 CET 2005


I have a protein which has 165 residues and i have run Energy minimization using steep integrator that converged to machine precision in about 21 steps with solvent.

Then i went on with cg integrator, I had no problems in running but i got a result stating polak-Riebiere conjugate gradient converged to machine precision in -1 steps but didnot reach the requested Fmax < 2000

Is the process ok?
Can I move ahead?
Please suggest me ..

Thank you 

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