MD_box_fixer

Solves the annoying issue with proteins not being centered in MD simuation boxes, also allows the user to shift the entire simulation box and calculate PBC vectors

Usage

1. Download the shift_solvent.tcl script
2. Launched VMD and load the MD prepared structure
3. load the script into vmd: source shift_solvent.tcl
4. Run the script with the molid as the argument i.e. shift_solvent top or shift_solvent 0
5. Add to vmdrc to have it auto-load on start (optional)