[gmx-users] connecting two atoms with a user-defined potential
mrshirts at stanford.edu
Wed Feb 18 03:09:00 CET 2004
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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