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NAMD to MMTK
This converter allows the conversion from a trajectory generated with NAMD [32] to a MMTK NetCDF trajectory.
Pressing the NAMD to MMTK menubutton, the dialog shown in figure 4.10 will pop up.
Figure 4.10:
The NAMD to MMTK converter dialog.
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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.
- XST input file:
Format: string
Default: None
Description: The NAMD eXtended System Trajectory (XST) file has to be provided to the converter.
- 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: VASP to MMTK
Up: Trajectory conversion
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pellegrini eric
2009-10-06