[gmx-users] center of mass and box co-ordinates

Arunima Shilpi writetoash28 at gmail.com
Tue May 7 07:05:13 CEST 2013

Hello Justin sir

In your tutorial file for umbrella sampling for Aβ42 protofibril, what was
the criteria used to determine the coordinates of center of mass and box
size which you have takes as

editconf -f complex.gro -o newbox.gro -center 3.280 2.181 2.4775 -box
6.560 4.362 12


Thanking You with Regards.

Arunima Shilpi

Ph. D Research Scholar(Cancer & Epigenetics)
Department of Life Science
National Institute of Technology

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