[gmx-users] Where is main() function in GROMACS source?

Carsten Kutzner ckutzne at gwdg.de
Wed Jul 30 16:57:17 CEST 2008

Hi Sangamesh,

the main() function you are looking for is in the file src/kernel/mdrun.c


Sangamesh B wrote:
> Hi all,
>          Can any one on the list tell me the C file, which contains 
> main() function of Gromacs source (preferred version 3.3.1)
> I need to debug the gromacs parallel code. So want to put a infinite 
> loop in the beginning of main().
>          I guess that, the file with main() function is same for 3.3.1 
> and 3.3.2 versions.
> Thank you,
> Sangamesh
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Dr. Carsten Kutzner
Max Planck Institute for Biophysical Chemistry
Theoretical and Computational Biophysics Department
Am Fassberg 11
37077 Goettingen, Germany
Tel. +49-551-2012313, Fax: +49-551-2012302

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