Re: [AMBER] CCA-Phe terminal using Antechamber

From: David A Case <case.biomaps.rutgers.edu>
Date: Thu, 1 Sep 2011 10:33:11 -0400

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
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