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vmdplumed.tcl

Lines changed: 9 additions & 8 deletions
Original file line numberDiff line numberDiff line change
@@ -2196,7 +2196,7 @@ proc ::Plumed::parse_forces {fname} {
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}
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proc ::Plumed::start_show_forces {fname {scale 1}} {
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proc ::Plumed::start_show_forces {fname {scale 0.1}} {
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variable forces_data
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variable forces_scale $scale
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set forces_data [parse_forces $fname]
@@ -2211,30 +2211,31 @@ proc ::Plumed::stop_show_forces {} {
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trace vdelete vmd_frame([molinfo top]) w ::Plumed::draw_forces
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}
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proc ::Plumed::draw_forces {} {
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proc ::Plumed::draw_forces {args} {
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variable forces_data
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variable forces_scale
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# global vmd_frame
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set fno [molinfo top get frame]
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2221+
set fd [lindex $forces_data $fno]
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set as [atomselect top all]
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$as frame $no
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$as frame $fno
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set xyz_all [$as get {x y z}]
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$as delete
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# Iterate over atoms
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graphics top delete all
2226-
set fd [lindex $forces_data $fno]
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foreach d $fd {
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set x [$as get {x y z}]
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foreach d $fd x $xyz_all {
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set ds [vecscale $forces_scale $d]
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draw_arrow $x $ds
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}
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$as delete
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}
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# Draw an arrow at x in direction d
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proc ::Plumed::draw_arrow {x d {r 1} {tip 1}} {
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proc ::Plumed::draw_arrow {x d {r .1} {tip .2}} {
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set xf [vecadd $x $d]
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set xtip [vecadd $xf [vecscale $tip [vecnorm $d]]]
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graphics top cylinder $x $xf radius $r filled yes

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