From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Sat Mar 03 2012 - 14:45:14 CST

On Sat, Mar 3, 2012 at 2:50 PM, siladitya mukherjee
<mukherjeesiladitya_at_gmail.com> wrote:
> Hi,
>
> I want to calculate the RDF of a system where cell volume changes with each
> frame, can I modify my tcl script like the following

no. this script has syntax errors and doesn't make sense.
either you have a loop over the frames or set them explicitly.
but doing a loop with explicit setting of values is pointless.

axel.

>
> set n 50  [molinfo top get numframes]
> for {set i 0} {$i < $n} {incr i} {
>     molinfo top set frame 0
>     pbc set {1 1 1}
>     molinfo top set frame 1
>     pbc set {1.1 1.1 1.1}
>     molinfo top set frame 2
>     pbc set {1.2 1.2 1.2}
>     .......................
>    molinfo top set frame 50
>    pbc set {2 2 2}
> }
>
> Thanks

-- 
Dr. Axel Kohlmeyer
akohlmey_at_gmail.com  http://goo.gl/1wk0
College of Science and Technology
Temple University, Philadelphia PA, USA.