[gmx-users] topology file with virtual site for an asymetric linear molecule

ABEL Stephane Stephane.ABEL at cea.fr
Tue Jul 4 13:00:32 CEST 2017

Dear all,

I would like to use the virtual site capability of GROMACS to construct the topology of an asymmetric linear molecule (say SeCN). Does somebody have an example of topology file for a similar molecule to share with me? 

Thank you 


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