Pradip Biswas wrote:
Hi,
The atomic numbers of the atom types opls_179 (OS) and opls_180 (OS) are
typed in as 7 in ffoplsaanb.itp instead of 8. Accordingly, while doing
QMMM, these oxygen atoms are being recognized as Nitrogen atoms.
DvdS fixed this in the git source earlier this week.
Mark
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