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

[X.Periole]

On Thu, 10 Aug 2006 09:01:37 +0200
  David van der Spoel <spoel at xray.bmc.uu.se> wrote:
> 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!
>> 
> trjconv ?
> 

You MUST use trr format !! The xtc format is not precise
enough and will introduce artefact in your energies ...

XAvier