restraint dihedral

Jacopo Sgrignani sgr... at
Sun Oct 16 14:09:51 UTC 2011

Dear All

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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