diff --git a/README.md b/README.md index f70c821..476421f 100644 --- a/README.md +++ b/README.md @@ -242,7 +242,7 @@ chmod +x ai2bmd The format of the simulation trajectory is `.traj` of ASE format. To convert it to `.dcd` format for visualization, you can install MDAnalysis first and take `src/utils/traj2dcd.py` as reference with the following commands: ```shell -python traj2dcd.py --input xxx.pdb --output xxx.dcd --pdb xxx.pdb --num-atoms nnn --stride nnn +python traj2dcd.py --input xxx.traj --output xxx.dcd --pdb xxx.pdb --num-atoms nnn --stride nnn # arguments # --input The name of the input trajectory file