[AMBER] net charge

From: Vishal Maingi <maingipaws.yahoo.co.in>
Date: Tue, 23 Jun 2009 15:19:51 +0100


Dear amber users,


I am using my own residues which were made and minimized in Gaussian by DFT.. then using sequence commamnd Iwrote a script to make my macromolecule from the minimsed residue using gaff field. but when I run antechamber the net charge was -2 on molecule.though there was no charge on minimsed residue and all hydrogens are there on macromolecule.


thanks


Vishal
India


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Received on Mon Jul 06 2009 - 11:01:43 PDT
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