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

Krzysztof Kolman krzysztof.kolman at gmail.com
Tue Apr 24 15:06:46 CEST 2018


Dear Justin,

Thank you a lot!

Best,
Krzysztof

2018-04-21 3:26 GMT+02:00 Justin Lemkul <jalemkul at vt.edu>:

>
>
> 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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