warren deng wrote:
Hi Gromacs users,
In my simulation, I need to restrain distances between atoms on two
protein molecules. But the Gromacs manual on NOE seems to imply that the
atom indices belong to the same molecule type.
So I am wondering whether it is possible to create distance restraint
between two molecule types in Gromacs?
Indeed. You will need to create a moleculetype that contains both/all
the molecules of interest. Note that atom numbers within a moleculetype
must be unique.
Mark
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