[gmx-users] How to change moment of inertia of a molecule

Rini Gupta rinisgupta at gmail.com
Sat Oct 29 00:04:59 CEST 2011


Dear Gromacs Users,

I want to run a calculation using Gromacs for some mixed/water solutions by
changing moment of inertia of molecules.
Can anyone please tell me is there any one of changing the actual moment of
inertia of a molecule e.g. water

Any comments will be really appreciated.


Thanks and Regards,
Rini Gupta
UBC, Vancouver
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