@@ -58,13 +58,13 @@ How to build an initial configuration of a molecular or ionic system.
5858 [ fftool] ( http://www.github.com/agiliopadua/fftool ) page.
5959
6060
61- 2 . Use the ` fftool.py ` script to create ` .xyz ` files for the molecules
61+ 2 . Use the ` fftool ` script to create ` .xyz ` files for the molecules
6262 in your system and an input file for
6363 [ Packmol] ( http://www.ime.unicamp.br/~martinez/packmol/ ) . For help
64- type ` fftool.py -h ` . For example, to build a simulation box with 20
64+ type ` fftool -h ` . For example, to build a simulation box with 20
6565 ion pairs and a density of 3.0 mol/L do:
6666
67- fftool.py 20 c4c1im.zmat 20 ntf2.zmat --rho 3.0
67+ fftool 20 c4c1im.zmat 20 ntf2.zmat --rho 3.0
6868
69693 . Use Packmol with the ` pack.inp ` file just created to buid the
7070 simulation box (adjust the density if necessary):
@@ -74,10 +74,10 @@ How to build an initial configuration of a molecular or ionic system.
7474 Atom coordinates will be written to a file ` simbox.xyz ` . You can
7575 use a molecular viewer such as VMD to look at the ` .xyz ` files.
7676
77- 4 . Use ` fftool.py ` to build the input files for LAMMPS or DL_POLY
77+ 4 . Use ` fftool ` to build the input files for LAMMPS or DL_POLY
7878 containing the force field and the coordinates:
7979
80- fftool.py 20 c4c1im.zmat 20 ntf2.zmat --lammps
80+ fftool 20 c4c1im.zmat 20 ntf2.zmat --lammps
8181
8282Information on the force field file format and on more geeral or
8383advanced used is available at the
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