[gmx-users] problem in oplsaa ffbonded.itp

francesco oteri francesco.oteri at gmail.com
Wed Mar 21 11:29:19 CET 2012

Dear Gromacs users,
I am working on a program that need topology parsing.
I am using the OPLSAA forcefield and I noticed that in ffbonded.itp file
belonging to this force field there are these strange lines:

[ dihedraltypes ]
;  i    j    k    l   func     coefficients
; Added DvdS for Quartz simulations
   SI   OS    1     0.000       3.766      3
   SI   OH    1     0.000       3.766      3

If it describes dihedral definition, how is possible having only two atom

Oteri Francesco
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