[gmx-users] Point Dipoles

Donovan B.T. B.T.Donovan at soton.ac.uk
Tue Oct 19 18:40:14 CEST 2010


Is there a way to create pinned dipoles in Gromacs? I.e. to pin a point dipole to a molecule with an orientation? I've looked in the manual but find nothing or online. Also is there any provision for SSD [soft sticky dipole] water molecules?



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