[gmx-users] Quartic Angle

Steven Neumann s.neumann08 at gmail.com
Wed Jun 12 16:01:41 CEST 2013

Dear Gmx Users,

I run a simulation with quartic angle potential. These function has two
minima at 100 at 120 degrees. However, seems from my simulation that it is
not applied... all angles are around 180 degrees and my chain is a line
chain (straight).

I have in my topology

[ angles ]
; i  j  k funct th0  C0  C1  C2  C3  C4
1    2    3    6    0    1389.5    -46.9053    0.59033  -0.00328291

in the log file the quartic potential is shown every time. Can it be the
reason of th0 to be zero?


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