antechamber -fi pdb -fo mol2 -i HEM_H_renum.pdb -o HEM.mol2 -pf y
Info: Bond types are assigned for valence state 9 with penalty of 2
WARNING: atom type of CHD (cf) and C4C (cc) may be wrong
WARNING: atom type of C2A (cc) and C3A (cc) may be wrong
On Thu, Jun 29, 2017 at 9:07 PM, Rana Rehan Khalid <rrkhalid.umich.edu>
wrote:
> antechamber -fi pdb -fo mol2 -i HEM_H_renum.pdb -o HEM.mol2 -c bcc -pf y
> -nc -4
>
> Info: Bond types are assigned for valence state 9 with penalty of 2
>
> WARNING: atom type of CHD (cf) and C4C (cc) may be wrong
> WARNING: atom type of C2A (cc) and C3A (cc) may be wrongTotal number
> of electrons: 314; net charge: -4
>
>
>
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Received on Thu Jun 29 2017 - 18:30:03 PDT
