Dear amber users:
i am trying to get a prepi file of my organic molecule with antechamber, and i input "antechamber -fi gout -fo prepi -i ligand.log -o ligand.prepi -c resp -rn 170 -rf 170.res -pf y" .
i got this error message:
Bond types are assigned for valence state 6 with penalty of 2
here i attached my molecule which i am dealing with ,and there is a coordination bond between N and O. when i used xleap to
add H ,it also added a H atom to the oxygen which is bonded to N,then i deleted the H atom and saved a pdb file.
I would appreciate if I could be guided to solve this problem.
Thanks in advance!
emilia wu
emiliawu.dicp.ac.cn
2005-04-28
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Received on Thu Apr 28 2005 - 03:53:00 PDT
