Klauda Lab Simulation Wiki

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By Robert Allsopp

Downolad the files from here distance_charmm_vmd.tar.gz

There are a few ways to gather the distance data. Each with different results.

   1) Using VMD with weights
   2) Using VMD without weights
   3) Using Charmm (without weights)
   4) EDP Method

set sel [atomselect top "segname PROA and resid 1" frame $i]
set mass [$sel get mass]
set data [measure center [atomselect top "segname PROA and resid 1" frame $i]]

set datalip [measure center [atomselect top "segname MEMB and name P and resid 61 to 120" frame $i]]

      set distance [expr -$data + $datalip]