[gmx-users] c-program

[Anton Feenstra]

Nguyen Hoang Phuong wrote:
> 
> Dear All,
> 
> I would like to read the coordinates of th every step from the gro file
> and write it to every file. I wrote a simple c program to do that but it
> can only produce 1015 files and then I got Segmentation fault. Does anyone
> have experience about this? Thanks in advance.

I don't know what your goal is, but there is a number of gromacs tools
that can do similar things. For example, trjconv can write out every
nth frame into separate files, like this:

trjconv -f traj.xtc -s topol.tpr -o frames.gro -sep -skip 10

will write every 10th frame from traj.xtc into files named 'frames#.gro'
where '#' will be numbers.

-- 
Groetjes,

Anton
 ________ ___________________________________________________________
|        | Anton Feenstra                                            |
| .      | Dept. of Pharmacochemistry - Free University Amsterdam    |
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