[gmx-users] movement in 2 directions - remove one degree of freedom

Erik Marklund erikm at xray.bmc.uu.se
Fri May 11 15:39:41 CEST 2012

11 maj 2012 kl. 14.38 skrev Steven Neumann:

> Dear Gromacs Users,
> Is there any way in Gromacs which will allow me to contraint some of the atoms in the system to move only in the coordinate X and Z? I do not want some of my atoms to move in Y direction. Do you know how to do this?


Not exactly. But you can apply position restraints with zero force constants  in X and Z directions. This will allow some movement in the Y direction, but the extent depends on your force constant in the Y direction.


> Steven
> -- 
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Erik Marklund, PhD
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,    75124 Uppsala, Sweden
phone:    +46 18 471 6688        fax: +46 18 511 755
erikm at xray.bmc.uu.se

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