[gmx-users] Vritual Sites and simulation time-step

James Starlight jmsstarlight at gmail.com
Thu May 30 07:05:03 CEST 2013

Dear Gromacs users!

In some discussions I've noticed that people told about usage of virtual
sites which allow to increase time step of the simulation of such systems.
>From manual and tutorial its not quite understand for me how with inclusion
of such dummy atoms (which can be used to reduce number of atoms of the
some solvent-like molecule or to mimic  electron pairs in the water for
instance)  influence on time-step can be achieved ?


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