Look at the ntr variable in the manual. You can also use the tgtmd variable,
which differs in that you can set the desired rmsd. Ntr uses a spring for
each atom in the mask. Tgtmd uses one spring for the rmsd.
On Apr 7, 2011 12:12 PM, "Catein Catherine" <askamber23.hotmail.com> wrote:
Dear Sir/Madam,
How to apply restraint based on a reference structure? but not a distance
nor angle in umbrella sampling? Can it be used for PMF calculations?
Best regards,
Catherine
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Received on Thu Apr 07 2011 - 10:30:05 PDT
