AMBER Archive (2009)

Subject: [AMBER] net charge

From: Vishal Maingi (maingipaws_at_yahoo.co.in)
Date: Tue Jun 23 2009 - 09:19:51 CDT

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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