[gmx-users] typo in ffoplsaanb.itp for opls_179 (OS) and opls_180 (OS)
Mark.Abraham at anu.edu.au
Tue Dec 15 06:33:28 CET 2009
Pradip Biswas wrote:
> 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.
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