[gmx-users] Regarding Dimer calculations
Mark.Abraham at anu.edu.au
Tue Nov 22 13:08:35 CET 2011
On 22/11/2011 11:06 PM, Ravi Kumar Venkatraman wrote:
> Dear all,
> Could anybody suggest me how to do dimer calculation using
> gromacs or guide me to some paper or journal that describes the same.
The same considerations apply - simulation design depends on what you
wish to observe. For a dimer, you may be able to get away with using the
same [moleculetype] for each molecule.
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