[lammps-users] convert Amber trajectory files to Lammps

Dear All,

I’m planning to convert Amber trajectory files to Lammps to use analysis tools in Lammps. So, Is it possible to convert Amber trajectory files to Lammps format ? If it works, Could you please help me to learn this operation ?

Amber trajectory files ( mdout, mdcrd and restart )

Thanks in advance!

Regards, Adrien

Someone wrote a tool for this long ago, in Python.
See tools/amber2lmp. Don't know if it still works
or anyone uses it. But so long as the Amber
output has all the info LAMMPS needs for its
input, then it is of course possible.

Steve

Dear All,

I'm planning to convert Amber trajectory files to Lammps to use analysis
tools in Lammps. So, Is it possible to convert Amber trajectory files to
Lammps format ? If it works, Could you please help me to learn this
operation ?

dear adrien,

i have a hacked version of the lammps molfile plugin for VMD that can
write lammps atom style trajectories. so that may be an alternative if
the tool that steve mentioned does not work (you'll have to compile
the plugin as a shared object for your platform and install it into an
existing VMD installation, so it is a bit complicated...).

it might be helpful, if you could explain what kind of analysis specifically
you are looking for. perhaps you can avoid the whole conversion process
completely...

cheers,
     axel.