[gmx-users] About airtual site tutorial
sujithks58 at gmail.com
Sat Aug 1 11:15:36 CEST 2015
I am following your tutorial about CO2 topology using virtual sites.
I find that in the topology provided, you have not reassigned the particle
type as virtual (V) for the C and O atoms (which are treated as the virtual
sites in the model). Instead, they are directly selected from the OPLSAA
forcefield files, in which the particle type is always 'A'.
I was wondering if the choice of particle type has any effect on the
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