Hi All, Sorry for a non CCP4 querry. I am using CNS for composite omit map calculations. the structure is having a ligand for which parameter and topology files have been generated using PRODRG server. however while running composite_omit_map.inp i m getting the following torsion topology error (where chain D is the ligand):
"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 "D "-242 -AMG -O4
%atoms "D "-242 -AMG -C4
%atoms "D "-242 -AMG -C3
%atoms "D "-242 -AMG -O3
%atoms "D "-242 -AMG -C2
%atoms "D "-242 -AMG -O2
%atoms "D "-242 -AMG -C1
%atoms "D "-242 -AMG -O1
%atoms "D "-242 -AMG -C7
%atoms "D "-242 -AMG -O5
%atoms "D "-242 -AMG -C5
%atoms "D "-242 -AMG -C6
%atoms "D "-242 -AMG -O6
%TORSION:TOPOLOGY error encountered: Fatal Topology Error
(CNS is in mode: SET ABORT=NORMal END)
*****************************************************
ABORT mode will terminate program execution.
*****************************************************
Program will stop immediately."
topology and parameter files have been attached to this posting.
Kindly suggest if there is any problem with topology or parameter file or i
am missing on something else.
with best regards
Vineet Gaur
mam.param
Description: Binary data
mam.top
Description: Binary data
