[gmx-users] Question about topology construction.
sujithks58 at gmail.com
Fri Mar 21 08:34:38 CET 2014
Thanks for the response. In the EMP2 model the bond angle potential is of
the harmonic form with the equilibrium angle 180. The only way I could
include this in the .itp was though [angles].
The other two options [angle_restraints] and [angle_restraints_z] has a
different form for the potential.
So, since you said linear angles has some issues, is there another way I can
represent the angle potential.
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