problem whit comand "COM"

From: Leonardo Herrera (
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

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