[lammps-users] tool for charmm

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1

Dear all,

could anybody have experience of working with tools/ch2lmp/ for converting the dump file of LAMMPS into dcd file of CHARMM?

It would be very grateful if anybody teach me in more detail.

Chol-Jun

2

Chol-Jun,

Yes. First, I'd recommend a different route: simply have LAMMPS output dcd files. See the dcd option here:

http://lammps.sandia.gov/doc/dump.html

Paul