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.
Mark
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