[gmx-users] No default Angle types
Darrell Koskinen
darrellk at ece.ubc.ca
Sun Sep 20 02:16:19 CEST 2009
Dear GROMACS Gurus,
I received the following error when running grompp:
/
ERROR 0 [file "graphene.top", line 392284]:
No default Angle types
/
I believe this error is referring to the fact that there was no
definition of an angle type for the following combination of atoms:
HA CA CT
since line 392284 of the top file has this combination of atoms.
I took a look through the ffoplsaabon.itp file and saw that indeed there
was no definition for an angle between this combination of atoms. So I
thought that I could resolve this error by copying the ffoplsaabon.itp
file into my working directory, making a copy of the line for the CA CA
HA and renaming the combination CT CA HA. However, when I ran grompp
again, I still get the same error. Please advise.
Thanks.
Darrell
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