[gmx-users] Wildcard atomtypes-regd

ramesh cheerla rameshgromacs at gmail.com
Fri May 4 09:28:25 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.



Regards,
Ramesh Cheerla.
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