[gmx-users] Converting CHARMM trajectories (.trj) to GROMACS trajectories (.xtc)

Mark Abraham Mark.Abraham at anu.edu.au
Tue Mar 27 17:26:07 CEST 2007

Hwankyu Lee wrote:
> Dear gmx-users,
> I would like to analyze CHARMM trajectories in GROMACS, and wonder if 
> there are available scripts or tools to convert CHARMM traj to GROMACS 
> traj (.xtc).  I've searched the contributed software and forum sections, 
> and it looks like there is a script for that, but couldn't find it.  If 
> you can provide me scripts for that, it'll be appreciated.

I'm not aware of one... if it looks like there is a script for it, why 
couldn't you find it? :-)

I think you should explore finding an intermediate format, like PDB, 
through which you can convert one to the other - you will lose 
precision, but that will not matter for analysis.


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