lammps/tools/lmp2vmd/lmpradius2vmd.tcl

19 lines
375 B
Tcl

# small script to assign a radius by type number in VMD
# (c) 2008 Axel Kohlmeyer <akohlmey@cmm.chem.upenn.edu>
proc lmptypetoradius {mol rlist} {
if {"$mol" == "top"} {
set mol [molinfo top]
}
set t 0
foreach r $rlist {
incr t
set sel [atomselect $mol "type $t"]
$sel set radius $r
$sel delete
}
return 0
}