From: KK R (
Date: Wed Jul 08 2015 - 12:52:47 CDT

Dear VMD users,
I am trying to use bigdcd for wrapping, unwrapping and writeing dcd file
using VMD text mode with the command:

vmd -dispdev text -e Script.tcl

Script.tcl is:

source bigdcd.tcl
package require pbctools
proc nwc { frame } {
global sel nf
for { set i 1 } { $i < $nf } { incr 1 } {
$sel frame $i
$sel [pbc unwrap -first 0] waitfor all
$sel [pbc wrap -centersel "protein" -center com -compound residue -all]
waitfor all
$sel [animate write dcd Wrappeddcd.dcd] waitfor all
mol load psf Mypsf.psf
set sel [atomselect top all]
set nf [molinfo top get numframes]
bigdcd nwc Mydcd.dcd

However, it is doing nothing. I am not able to grab loophole(s) in my tcl
script despite going through VMD discussion forum.

Any suggestion would be appreciated.

Thanks in advance!