[gmx-users] (no subject)

[balamurugan r]

Sir,

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 

bala
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20050321/b238da20/attachment.html>