non-periodic torsions

[Carlos Henrique]

Dear all, 

In plumed 2.9, the collective variable TORSION is periodic, and there is no manners to convert it to non-periodic. I have tried multiples ways using MATHEVAL function but none worked. I wonder if someone knows a way to calculate non-periodic dihedral angles. 

All the best,

Cruz

[Gareth Tribello]

You could do this:

t: TORSION ATOMS=1,2,3,4

c: CUSTOM ARG=t FUNC=x PERIODIC=NO

You then use c in place of t in your calculations.

I hope this helps

Gareth

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