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

[Pradip Biswas]

Hi,

Just noted that the oxygen atom types defined in opls_179 and opls_180 have
atomic numbers typed in as 7 in ffoplsaanb.itp instead of 8 (the mass
numbers are okay 15.9994 though). Accordingly, while doing QMMM, these
oxygen atoms are being recognized as Nitrogen atoms.

Biswas.

-- 
Pradip K Biswas, PhD
Acting Chair, Department of Physics,
Computational Bioscience and Bioengineering Group
Tougaloo College, MS 39174
Ph: 601-977-7788
Fax: 601-977-7898
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