[gmx-users] Wild-card atomt types - regd

ramesh cheerla 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.


Best regards,
Ramesh cheerla
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120508/2cb29755/attachment.html>


More information about the gromacs.org_gmx-users mailing list