VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Thu Apr 21 2011 - 10:22:10 CDT

Hi,
  Before, looking into this further, the first thing I see that is a
problem with your script is that you're using the old "mol load" command,
and not forcing VMD to wait until the DCD file is completely loaded.
I would suggest rewriting the script using the "mol new" and "mol addfile"
commands ("mol load" will be removed from VMD soon), and add "waitfor all" to
the end of the "mol new" and "mol addfile" commands to ensure that the
trajectory is completely loaded before the script continues processing.

The next question is which version of VMD you're using?

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Thu, Apr 21, 2011 at 02:40:07PM +0530, mohan maruthi sena wrote:
> Hi ,
> I want to fit dcd from .dcd files of vmd and i have written a code
> in tcl, actually its running well but for some files its giving error as
> follows:
> Matrix: Warning: no convergence (0.00000000<785.03826904 after 1000
> iterations).
[...]
>
> I am attaching the code ,please help me to fix this.
>
> Thanking you,
> K.Mohan Maruthi
> CCNSB,
> IIIT-H 

-- 
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