VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Sat May 23 2020 - 02:17:05 CDT

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/