sgr... at gmail.com
Sun Oct 16 14:09:51 UTC 2011
I would like to know the best way to restrict a dihedral angle during a
Without any experience about this, I tried to use a fictitious Colvar
putting two walls to define the space that the dihedral can freely explore.
Then, the program asks for a value of the SCALE variable during the
metadynamics calculation, and I set this to 0.
However, I'm not sure that this is the correct solution to my problem.
Can somebody suggest me other solutions?
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