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