[gmx-developers] how to write a xtc file in c
dong at pampas.chem.purdue.edu
Thu Aug 10 08:54:10 CEST 2006
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!
By the way, I know mdrun -rerun can read a gro file, but I think using
xtc file can save space.
All the best!
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