Hi lennart,
Thanks for your sharing scripts. I am a beginner for charmm. Your scripts really benifit me much. But I have some questions for solvent-shell.str. I think I need your helps. In the DO_X part in solvent-shell.str, you write:

! do the same slab again, but translated -1A and rotated 30 degrees around the x-axis
read sequence tip3 @NSLAB
gene wat3 noangle nodihe
coor dupl sele segid wat0 end sele segid wat3 end
coor rota xdir 1.0 phi 30.0 sele segid wat3 end
coor transl xdir -1.0 sele segid wat3 end

I don't clearly understand why make the slab translated -1A and rotated 30 degrees around the x-axis. Why not just let the slab slide along the x-axisdo without "translated -1A and rotated 30 degrees around the x-axis" ?

Thanks.

Ardie