May 24, 2013 · The plugin pbctools provides Tcl functions to handle periodic boundary conditions. All of the plugin’s functions can be accessed via the Tcl text command. pbc subcommand …

Development version of the pbctools plugin for VMD.

## ## PBC Tools ## ## A plugin for the handling of periodic boundary conditions.

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# ##### proc read_xst {file} { set cell {} set cell1 {} set cell2 {} set cell3 {} set cello {} set fd [open $file r] while {![eof $fd]} { set line [gets $fd] if {[string first \# $line]==-1 && [llength $line]>0} { # …

# Various tools to set up and display periodic boundary conditions. # See documentation in the script headers. # Thanks to Cameron Mura for valuable additions.

Development version of the pbctools plugin for VMD. - pbctools/README at master · frobnitzem/pbctools

using pbc tools in VMD. the command is pbc unwrap -all (if you want to unwrap all) Got a technical question? Get high-quality answers from experts.

Dec 25, 2014 · pbc wrap -orthorhombic -shiftcenterrel 1 0 0<br /> 7 unwrap – Unwrapping atoms<br /> Syntax<br /> pbc unwrap [options. . . ]<br /> Description<br /> If a simulation only …