[gmx-users] RE: keeping 4 atoms on a plane fixed during md run

Vitaly Chaban vvchaban at gmail.com
Thu Jun 26 19:33:52 CEST 2008

> Hi All User,
> Is there any way I can fix 4 atoms in a plane during MD run?
> Advice much appreciated,
> Abu 

And what's the problem indeed? Do you want to make them non-movable or just
move as the whole planar figure? Does these atoms belong to one
molecule or not?

You can just make a planar molecule of the atoms of interest and use
constraints to fix them in a plane.

Vitaly V. Chaban
School of Chemistry
National University of Kharkiv
Svobody sq.,4, Kharkiv 61077, Ukraine
email: chaban at univer.kharkov.ua
skype: vvchaban

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