On 29/10/2011 9:04 AM, Rini Gupta wrote:
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
You will need to change the mass of the atom(s) and that requires
creating a new atom type with the mass you want, and a new molecule type
for each such modified molecule that refers to the new atom type.
Mark
--
gmx-users mailing list [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [email protected].
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
