[gmx-users] Which subroutine output the forces and coordinates?

[Erik Lindahl]

Hi Yanan,

It's done in write_traj() in gmxlib/stat.c

Cheers,

Erik


On Monday, Apr 7, 2003, at 14:11 US/Pacific, ynzhao at stanford.edu wrote:

> Hi all,
>
> For my future purpose I need to output the forces and coordinates of
> each atoms. I did that by change my options in .mdp. However I want to
> know in which subroutine or c file the computed F(i)s and X(i)s are
> outputed in the .trr file.
>
> Thanks
>
> Yanan
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------------------------------------------------------------------------ 
-----
Erik Lindahl, MSc, PhD     <lindahl at stanford.edu>
D109, Fairchild Building
Dept. Structural Biology, Stanford University School of Medicine
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