[gmx-users] C-formats of forcefield file sections

Justin Lemkul jalemkul at vt.edu
Sat Apr 21 03:26:49 CEST 2018



On 4/20/18 4:54 PM, Krzysztof Kolman wrote:
> Dear Gromacs Users,
>
> I am looking for C-formats of sections of force field files, i.e.,
> [atomtypes], [bondtypes]... In the manual I could only find the C-format of
> gro file: "%5i%5s%5s%5i%8.3f%8.3f%8.3f%8.4f%8.4f%8.4f". Does someone know
> where I can find them?

See src/gromacs/gmxpreprocess/toppush.cpp

-Justin

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Justin A. Lemkul, Ph.D.
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