Description

This program was designed for batch conversion of simulation trajectories from .gro and .xtc to .lammpstrj.

Options for xtc2lmptrj

-i

The result files for each simulation including .gro and .xtc should be placed in a separate folder. This program requires the path to the main folder that contains all the simulated folders.

Example

        Main Folder -> Folder a -> .gro, .xtc, ...
                    -> Folder b -> .gro, .xtc, ...
                    -> Folder c -> .gro, .xtc, ...

-o

The path to the folder where you want to place the conversion results. The name of each .lammpstrj will be same as the name of .gro.

-n

The stride for writting data in .lammpstrj.

-v

The path to vmd.