[gmx-users] connecting two atoms with a user-defined potential

Michael Shirts mrshirts at stanford.edu
Wed Feb 18 03:09:00 CET 2004

Hi, all-

I'm interested in coupling atoms with user-defined flat-bottomed potential.
I've been trying to figure out how I can set things up such that I can get
two atoms to interact using the user-defined potentials, without kludging the
code too much.  I noticed that one can load in a tablulated, but it doesn't
appear clear how it can be applied to just _some_ pairs of atoms, not all
pairs.  Any suggestions are welcome.


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