| 7:30:34 PM PDT - Fri, Oct 27th 2017 |
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Dear all
I am trying to partially optimize a structure by fixing some torsional angles. Unfortunately the structure needs an adjustment of it's cvr_scaling which is also found in the zcoord block. The problem is that when I use both the cvr_scaling and torsion, the code runs fine but returns a structure that has not fixed the torsional/dihedral angle to the desired value. Please help.
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