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There are any future plans for ACEMD to support colinear lone pairs in NAMD Drude-like PSF format?
These are necessary for CGenFF 4.0 halogens.
See issue #853.
There are any future plans for ACEMD to support colinear lone pairs in NAMD Drude-like PSF format?
These are necessary for CGenFF 4.0 halogens.
See issue #853.