[gmx-developers] TIP4P naming

[hess at sbc.su.se]

Yes, that would make any Gromacs or non-Gromacs tool recognize
MW as a hydrogen.

It should be little effort to use proper names in the hydrogen
database rules for tip4p and tip5p.
I hoped I had finally finished fixing issues and bugs...

Berk

> Hi,
>
> is there any reason not to rename MW to HW3 in tip4p.gro? Renaming this
> would make it match to the aminoacids.rtp files. And thus pdb2gmx would
> accept the naming from genbox.
>
> Roland
>
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