[gmx-users] How to turn off charges on a residue?

[David van der Spoel]

On Thu, 2004-02-05 at 10:43, Chng Choon Peng wrote:
> Dear fellow GROMACS users,
> 
>    We need to turn off charges on each atom of a residue in our protein.
> How shall we go about it? Define a new residue type? Or atom type?
> 
> 
if you only have to do it once, do it in your top file.

> Thanks!
> 
> regards,
> Choon-Peng
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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