[Xplor-nih] rna database potential refinement
Gokul Ramaswami
gokulr at umich.edu
Mon Mar 3 12:33:27 EST 2008
Hello Xplor users,
I am trying to refine an rna molecule using the rama and orie database
potentials. The problem is during the final minimization I get an
error message stating that the gradient may be incorrect and the
program terminates. If I take out these 2 potentials, then the
minimization occurs without error, but the structure has poor base
stacking. Any help would be greatly appreciated.
Thanks,
Gokul
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