[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
types?
Oteri Francesco
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