Next: DL_POLY to MMTK Up: Trajectory conversion Previous: Amber to MMTK Contents

###
CHARMM/X-PLOR to MMTK

This converter allows the conversion from a trajectory generated with CHARMM or X-PLOR [27,35] to a MMTK NetCDF trajectory. Pressing the CHARMM/X-PLOR to MMTK menubutton, the dialog shown in figure 4.5 will pop up.

Figure 4.5: The CHARMM to MMTK converter dialog.

To perform the conversion, the following input fields must be filled:

- PDB input file
  Format: string
  Default: None
  Description: a PDB file of the system must be provided for the conversion. This file is necessary to build up the MMTK universe related to the MMTK trajectory.

- DCD input file
  Format: string
  Default: None
  Description: the CHARMM DCD trajectory file that stores the trajectory frames.

- MMTK NetCDF output file
  Format: string
  Default: None
  Description: the name of the MMTK NetCDF trajectory that will be written. Once, a DCD file has been loaded, a default name for the MMTK NetCDF output file will be proposed. This default name will be file.nc if file.dcd is the DCD trajectory file name.

Next: DL_POLY to MMTK Up: Trajectory conversion Previous: Amber to MMTK Contents