On 10/02/2012 5:11 AM, GZ Zhang wrote:
Hi, ALL
We are writing our own MD program to simulate water and the TIP4P
model is being considered.
I am wondering that how does GROMACS program handle the force on the
massless M site of the TIP4P
model? It would be better to be informed the algorithm(or the code in
GROMACS). Thanks.
It's a virtual site. The forces get projected onto the real sites from
which it is constructed. See manual section 4.7
Mark
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