Dear amber users,
I am trying to use the hbond analysis and determine the possible
hydrogen bonds between protein and ligand M34.
I try defining the acceptor:
#Terminal residues have different atom names
donor mask .OXT
acceptor mask :18.N1.M34:19.H7.M34
acceptor mask :22.N2.M34:23.H8.M34
acceptor mask :26.N4.M34:28.H2.M34
acceptor mask :26.N4.M34:27.H9.M34
after executing this line it does not seem to detect the atoms and says
WARNING in ptraj, acceptor: Error in mask specification. Ignoring...
What is wrong here?
thank you for any advices
best regards
Urszula Uciechowska
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Received on Fri Jun 22 2012 - 05:00:03 PDT
