[energies off the map]
You could also try temp0=10.0 w/out the nmr restraints;
also try same w/out ewald. This may help isolate the problem.
After relaxing the protein by series of minimization
with several different force constants,
As a side note, elaborate minimization is not worth the effort,
in my opinion, because minimization is so limited in the movement
that can occur. Low-temperature MD (e.g. 10-100K) is usually much
more effective.
Bill Ross
Received on Thu Mar 08 2001 - 11:22:13 PST
