Hi,
Which force field did you use? We have parameters for cyano in
gaff. You might first generate a mol2 or ac file to check the bond
connectivity.
Best
Junmei
Hi,
I have a cyano group in my ligand. Antechamber can not assign
the correct atom type (it gave DU) for atom N (cyano group) in prep file
and harmonic force constants and bond angle for C-C (triple bond) N in
frcmod file. It asks users to revise them. Any suggestions?
Thanks a lot in advance.
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Received on Tue Apr 19 2005 - 17:53:01 PDT
