On Thu, Sep 01, 2011, Sindrila Dutta banik wrote:
> The problem arises
> during create the mol2 file from reduced CCA-Phe.pdb file (contain two
> negative charge)
>
> antechamber –i cca1_new.pdb –fi pdb –o cca1.mol2 –fo mol2 –c bcc –s 2
By default, antechamber assumes that the molecular charge is zero; use the
"-nc" flag to set the charge to -2.
...hope this helps...dac
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Received on Thu Sep 01 2011 - 08:00:02 PDT
