[gmx-users] typo in ffoplsaanb.itp for opls_179 (OS) and opls_180 (OS)

Pradip Biswas biswas.pk at gmail.com
Tue Dec 15 06:00:30 CET 2009


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.

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