Hi,
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!
Ting
--
gmx-users mailing list [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [email protected].
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
