Hello everyone,
I would like to measure the dihedral energy of certain portions of the same
molecule over the course of a previously calculated trajectory. It's important
that I get the energy of ONLY these portions. I thought of saving the
trajectory of the portion in interest using trjconv. Then using mdrun -rerun to
calculate the dihedral energy of this portion. However, this won't work because
I would have to make a topology file that contains ONLY this portion. Any
ideas?
Bob
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