Dear Users,
I tried to perform dihedralcluster analysis for the sidechain dihedrals
which belongs to the active site of a receptor.
Unfortunately I obtain always the following error message:
ERROR in tokenize(): wrong syntax
PTRAJ: dihedralcluster out test.OUT framefile test.FRAMEFILE clusterinfo
test.CLUSTERINFO dihedralfile dihedralcluster
The following syntaxes were used in the dihedralcluster file:
:66.N :66.CA :66.CB :66.CG1 10
988 990 992 998 10
.988 .990 .992 .998 10
Which format should be used in the dihedralfile?
Thank you very much for your help in advance!
Balazs Jojart
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Received on Wed Nov 10 2010 - 05:00:04 PST
