[gmx-users] editconf and the placement of the center of mass
tsjerkw at gmail.com
Wed Aug 8 11:33:47 CEST 2007
>From the help of editconf (editconf -h) you could have seen that it
has no such option. It wouldn't be very hard to add it though...
On 8/8/07, Arneh Babakhani <ababakha at mccammon.ucsd.edu> wrote:
> In editconf, there's an option -center which allows you to place the
> geometrical center of your molecular at a desired location.
> I was wondering, is there an analogous option for the placement of the
> center of mass of a molecule?
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Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
3584 CH Utrecht
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