[gmx-users] add external force

Ting Zhou coomteng at gmail.com
Tue Jun 8 11:13:04 CEST 2010


I would like to add an external force f(x) on some atoms during the 
simulation, where x is the Cartesian coordinates of these atoms.

Each component of the force can only be calculated with the whole set of 
coordinates, i.e., (f1, f2, ..., fn) = f(x1, x2, ..., xn)

Is there a possible way to do it with Gromacs simply?

Thank you!

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