[gmx-users] Steepest Descents converged to machine precision
sharmanitu35 at gmail.com
Mon Apr 27 12:20:39 CEST 2009
But how can it possible that starting structure is grossly broken , up to
infltegro first step I enquired my structure It looks fine but after doing
enegy minimisation step i saw that structure is disturbed
May be its due to restrain not working on protein . To apply position
restrain on protein I have edited posre.itp file with force constant 100000
and included it in topology file-
Include forcefield parameters
But its not working .
I am unable to understand why?
can u give me some idea about that?
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users