Hi all,
I am trying to calculate composite omit map using CNS. My structure has a
bound molecule of tris. I have generated CNS topology and parameter files
using PRODRG server. The files seem to work fine when I am doing
minimizations and other refinement operations. However, I am getting the
following errors while calculating composite omit map:
ERROR: There are no suitable base groups.
This problem can be caused by isolated
bonding networks with undefined or weak
dihedral force constants.
The atoms that cannot be placed in a tree
are listed below:
%atoms "T "-1 -TRS -O1
%atoms "T "-1 -TRS -C1
%atoms "T "-1 -TRS -C
%atoms "T "-1 -TRS -N
%atoms "T "-1 -TRS -C3
%atoms "T "-1 -TRS -O3
%atoms "T "-1 -TRS -C2
%atoms "T "-1 -TRS -O2
%TORSION:TOPOLOGY error encountered: Fatal Topology Error
(CNS is in mode: SET ABORT=NORMal END)
Am I missing out something?
Regards
Suman
