VMD-L Mailing List

From: HEMANTH H (hemanth.h_at_iitgn.ac.in)
Date: Sat May 23 2020 - 07:27:08 CDT

Sir,

Thanks for your response. This is exactly what is happening with my script.
It would be helpful if I could get some way to get it done.

Best,
Hemanth

On Sat, 23 May 2020, 12:47 John Stone, <johns_at_ks.uiuc.edu> wrote:

> Hi,
> When you're writing out the DCD trajectory, you'll want to
> add the options "waitfor all" to the end of the command
> to ensure it completes fully. Also, VMD does not currently
> allow you to append to the end of an existing trajectory, so
> your script below likely simply overwrites whatever existing
> file you have.
>
> Best,
> John Stone
> vmd_at_ks.uiuc.edu
>
> On Thu, May 21, 2020 at 10:48:46AM +0530, HEMANTH H wrote:
> > Dear All,
> > I am trying to write out a few frames from my namd dcd file using the
> > following tcl script. I am able to write out the frames to the dcd
> file,
> > but it is overwriting the previous dcd frame written. Any suggestions
> are
> > welcome.
> > if {$nbasedist < 3.8} {
> > if {$angle < 30.1 || $angle > 149.9}
> > then {
> > animate write dcd $stacked beg $f end $f
> > }
> > else
> > {
> > animate write dcd $unstacked beg $f end $f
> > }
> > }
> > else
> > {
> > animate write dcd $unstacked beg $f end $f
> > }
> >
> > }
> > This the part of the script that fails.
> > --
> > Hemanth H 18310019
> > Research Scholar
> > IIT Gandhinagar
>
> --
> NIH Center for Macromolecular Modeling and Bioinformatics
> Beckman Institute for Advanced Science and Technology
> University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
> http://www.ks.uiuc.edu/~johns/ Phone: 217-244-3349
> http://www.ks.uiuc.edu/Research/vmd/
>