From: Jérôme Hénin (jerome.henin_at_ibpc.fr)
Date: Fri Jul 05 2013 - 12:17:28 CDT

Hi,

This could just be incomplete file I/O. Add a line saying "close $outfile" at the end to flush the buffer.

Cheers,
Jerome

----- Original Message -----
> Hi,
>
> I am trying to make a script that will display the center of mass of
> a
> chosen residue in my simulation. I have run into some issues with the
> tcl where I am not familiar with the syntax.
>
> My first issues is that I would like to loop over all the frame in my
> simulation
>
> set numframes [molinfo 0 get numframes]
> # Returns 1124 frames which is correct
> # Loop over frames
>
> for {set frame 0} {${frame} < ${numframes}} {incr frame} {
>
> set ref [atomselect 0 "resname CFN" frame ${frame}]
> set com_ref [measure center ${ref} weight mass]
> puts $outfile "Frame $frame com $com_ref"
>
> draw sphere $com_ref radius 0.5
>
> }
>
> My problem is that it only outputs 1104 frames and not 1124 as I
> would
> expect it to do?
>
> Thanks
>