Good morning,
I am trying to reproduce tutorial B5 ("Simulating the Green Fluorescent
Protein") and when executing the command:
$ antechamber -fi ccif -i CRO.cif -bk CRO -fo ac -o cro.ac -c bcc -at amber
I am getting "/Residue CRO has a type of LINKING. Quitting/" as output.
I can see that this behaviour is a consequence of Update.8 on
antechamber. So my question is: why shouldnt antechamber process the CRO
unit if it is marked as a linking unit? How can I solve this issue in
order to safely compute the parameters for this unit?
thank you very much in advance for the help.
best regards
Alfredo
--
*********************************************************
Prof. Dr. Mario Alfredo Quevedo.-
Laboratorio de Química Medicinal.-
Dpto. de Farmacia - Fac. de Ciencias Químicas.-
Universidad Nacional Córdoba.-
5000 Córdoba, Argentina
TE: +54 351 5353865 Int: 53355
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Received on Fri Aug 19 2016 - 07:30:02 PDT
