[gmx-users] Dynamic-Shell Model.

Mehmet Suezen suzen at theochem.tu-muenchen.de
Wed Dec 5 17:24:13 CET 2001

Dear Gromacs users/developers,

In shell-model implementation of Gromacs, shell does not have mass, is
it correct?
 And some authors argue that this leads to instabilities in
(Rambaut et al J.Phys.: Condens.Matter 1998 4221-4229) hence, we should
assign a mass to shell 
(10% of proton mass as Rambaut suggests)? How much effort one needs to 
implement it?

Should I hack the source :-)... or Are you suggesting "Use the source
read the source."


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