Dear Gromacs Users,
Is there a way in Gromacs to calculate the interaction energy between any two
neighbor lipids dynamically? Since the neighbor lipids change over time in the
trajectory file specifying a static energy groups in the input script will not
help.
Is there a way to accomplish this?
One could use the g_select tool to define dynamic groups but again the energy
file needs a predefined groups which probably makes the g_select tool useless
in this case?
Any advice is greatly appreciated.
Thanks a lot in advance.
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