From: Leonardo Herrera (ldhz04_at_yahoo.com.mx)
Date: Tue Jan 26 2010 - 20:21:19 CST
hi namd´s,
I have a problem when I'm saving my output, I'd thank to
somebody who can help me to obtain my output in a file.
et sel1 [atomselect top "residue 20"]
set sel2 [atomselect top "residue 30"]
set numframes [molinfo top get numframes]
for {set frame 0} {$frame < $numframes} {incr frame} {
$sel1 frame $frame
$sel2 frame $frame
set com1 [measure center $sel1 weight mass]
set com2 [measure center $sel2 weight mass]
set comdist [vecdist $com1 $com2]
puts "COM distance for frame $frame: $comdist"
}
$sel1 delete
$sel2 delete
>main< ../source centrobb.inp > center.out
bad option "centrobb.inp": must be -encoding
thanks in advance
MenB Leonardo David Herrera Zúñiga POSGRADO EN QUÍMICA UAMI Biofisicoquímica Universidad Autonoma Metropolitana IztapalapaTel. +52 (55) 5804 4674 ldhz04_at_yahoo.com.mx
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