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[ccp4bb]: CNS topology error
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I got the following error while trying to execute refine.inp with CNS
1.1 using 2PE as a ligand. I did not have any problems with 1PE, so I am
puzzled that this is happening. Does anyone know how to solve this? I
generated 2pe.par and 2pe.top file using het_dicts. I got the same files
from HICCUP server and also got the same error message.
-------------------------- Torsion Topology
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 "B "-300 -2PE -O1
%atoms "B "-300 -2PE -C2
%atoms "B "-300 -2PE -C3
%atoms "B "-300 -2PE -O4
%atoms "B "-300 -2PE -C5
%atoms "B "-300 -2PE -C6
%atoms "B "-300 -2PE -O7
%atoms "B "-300 -2PE -C8
%atoms "B "-300 -2PE -C9
%atoms "B "-300 -2PE -O10
%atoms "B "-300 -2PE -C11
%atoms "B "-300 -2PE -C12
%atoms "B "-300 -2PE -O13
%atoms "B "-300 -2PE -C14
%atoms "B "-300 -2PE -C15
%atoms "B "-300 -2PE -O16
%atoms "B "-300 -2PE -C17
%atoms "B "-300 -2PE -C18
%atoms "B "-300 -2PE -O19
%atoms "B "-300 -2PE -C20
%atoms "B "-300 -2PE -C21
%atoms "B "-300 -2PE -O22
%atoms "B "-300 -2PE -C23
%atoms "B "-300 -2PE -C24
%atoms "B "-300 -2PE -O25
%atoms "B "-300 -2PE -C26
%atoms "B "-300 -2PE -C27
%atoms "B "-300 -2PE -O28
%TORSION:TOPOLOGY error encountered: Fatal Topology Error
(CNS is in mode: SET ABORT=NORMal END)