CHARMM Development Project Forums User Discussion & Questions Energy terms, Constraints, Restraints, and Solvation Selection in Energy Calculation

Is there a way to use skipe and energy commands only on a selection of atoms? I can delete the atoms from the psf/pdb, but I was wondering if maybe there is a way to mask the atoms I don't want included in the energy calculation.

The INTEraction energy command allows atom selections, and if only a single atom selection is provided, it computes the self energy. There are some limitations; not all energy terms are supported, it does not use image atoms, and the non-bond list must exist and match the current coordinates.

Thanks - I should've thought of that!