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main.txt
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set fname YOUR_FILE_NAME.xyz
mol new $fname autobonds yes waitfor all
set selc [atomselct top {name C}]
$selc set type 1
$selc set mass 12.01100
set sel [atomselect top all]
topo retypebonds
vmdcon -info "assigned [topo numbondtype] bond types to [topo numbonds] bonds:"
vmdcon -info "bondtypes: [topo bondtypesnames]"
topo guessangles
vmdcon -info "assigned [topo numanglestypes] angle types to [topo numangles] angles:"
vmdcon -info "angletypes: [topo angletypesnames]"
topo guessdihedrals
vmdcon -info "assigned [topo numdihedraltypes] dihedral types to [topo numdihedrals] dihedrals:"
vmdcon -info "dihedraltypes: [topo dihedraltypenames]"
mol reanalyze top
set minmax [measure minmax $sel -withradii]
set box [vecscale 1.1 [vecsub [lindex $minmax 1 ] [lindex $minmax 0]]]
pbc set $box
vmdcon -info "box size: $box"
set center [measure center $sel weight none]
$sel moveby [vecscale -1.0 $center]
vmdcon -info "moved center from $center to [measure center $sel weight none]"
TopoTools::replicatemol top 1 10 70
animate write pdb PATH_TO_FILE.pdb