[gmx-users] Regarding Dimer calculations

Mark Abraham 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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