[gmx-developers] Geometry-dependent (non-spherically symmetric) potentials
devicerandom at gmail.com
Tue Jan 11 17:27:32 CET 2011
While I understand that all non-bonded gmx potential shapes are intended
to be spherically symmetric, for a project of mine it would be helpful
to be able to have a non-bonded pair potential which is
geometry-dependent (that is, depending on the angle between 3 atoms).
Has anything -official or unofficial- of this kind ever been attempted
on Gromacs and, if yes, are there code examples to look at?
Any kind of advice is welcome!
Massimo Sandal, Ph.D.
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