Re: charmm param ... wrong charges

From: Cristhian Boetsch (
Date: Thu Mar 08 2012 - 12:49:35 CST

-1 is the charge of the group. one atom have not net charge at least it is
a ion as Mg++ Na+ Cl-. Take a look how charmm assign parcial charge to a

2012/3/7 raghav singh <>

> Hello All,
> During my simulation of a ssDNA i have found that the vmd/namd combo has
> calculated wrong charges for the P atom of DNA backbone ... as mostly all
> of us know that it is -1 (as per my info). but in my psf file this is +1.5

Mic. Cristhian Boetsch
Universidad Nacional de Río Cuarto
Río Cuarto - Argentina
Cel.: 0358-154361332

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