[gmx-users] topology for exited electronic state

dgfd dgdfg roinato at mail.ru
Tue Jan 2 14:32:17 CET 2018

It is well documented how to construct topologies for ground states of molecules and ions. My task is to simulate the behaviour of dye (anion) after laser exitation in supramolecular complex. Is it possible with standard gromacs force fields?

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