[gmx-developers] how to write a xtc file in c

[Mark Abraham]

Dongsheng Zhang wrote:
> Dear GMX developers,
> 
> I want to write a xtc file to do rerun to get a special potential
> energy. Could you please tell me how to write a xtc file in c from a gro
> file (with multiple frames got from a xtc file, without velocity)? Thank
> you for your help!

Read the source code - to find the right functions to call look how 
trjconv or something does it, then grep the src/*/*.c files for the 
function definition.

Also http://www.gromacs.org/documentation/reference/online/xtc.html
Mark