From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Tue Jan 26 2010 - 21:54:40 CST
On Tue, Jan 26, 2010 at 9:21 PM, Leonardo Herrera <ldhz04_at_yahoo.com.mx> wrote:
> 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.
please have a look at a tcl tutorial. there is one at :
http://www.tcl.tk/man/tcl8.5/tutorial/tcltutorial.html
cheers,
axel.
> Annex my
> script , error .
>
> 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
-- Dr. Axel Kohlmeyer akohlmey_at_gmail.com Institute for Computational Molecular Science College of Science and Technology Temple University, Philadelphia PA, USA.
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