[gmx-users] removing dihedral
francesco.oteri at gmail.com
Mon Nov 21 20:35:19 CET 2011
Dear gromacs users,
I am trying to build the topology for a protein-ligands system. When I run
grompp I obtain 96 of the following errors:
ERROR 1 [file topol_Protein_chain_S.itp, line 38658]:
No default Proper Dih. types
The errors correctly says that dihedral parameters are missing for my
My question is, there is a method to avoid considering such a dihedrals,
avoiding topology editing?
In other words, I don't wanna edit the .top file removing by-hand the lines
generating the error.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users