[gmx-users] Wild-card atomt types - regd
rameshgromacs at gmail.com
Tue May 8 19:44:00 CEST 2012
Dear Gromacs users,
I am planing to use wildcard atomtypes in [
dihedrals ] directive of the ffbonded.itp file, As my system contain O-C
dihedral, all the O-C dihedrals are same, so instead of mentioning each
dihedral explicitly i have tried wildcard atom types by specifing
X-O-C-X but couldn't succeed, It is giving the error: No default
Proper Dih. types.
Is there any specific method to use wildcard atom types in Gromacs for
dihedrals or do I have to define the wildcard atomtypes, if so in which
file do i have to define it.
Any help will be highly appreciated.
Thank you in advance.
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