AMBER Archive (2005)

Subject: AMBER:

From: emilia wu (emiliawu_at_dicp.ac.cn)
Date: Wed Apr 27 2005 - 21:35:59 CDT


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_at_dicp.ac.cn
          2005-04-28


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