VMD-L Mailing List

From: Chitrak Gupta (chgupta_at_mix.wvu.edu)
Date: Thu May 26 2016 - 15:31:33 CDT

Hi Josh,

I have a follow-up question. If I am doing "$sel frame $i" and "$sel
update", do I still need to do "molinfo top set frame $i"? What I am seeing
is that the results differ based on whether or not I put this molinfo
command. My understanding was that the "$sel frame $i" and "$sel update"
takes care of everything, is that not the case?

On Thu, May 26, 2016 at 2:14 PM, Josh Vermaas <vermaas2_at_illinois.edu> wrote:

> Well, I'm not actually sure what the default behavior is for which frame
> gets picked if its not specified in the selection command. Is it the
> current frame? Is it the last frame? Is it the first frame? If it picks the
> current frame, the two loops should give identical results. Since they
> don't, it must be one of the other two options, and that lesson must be the
> reason why I've only ever seen it done the $sel frame then $sel update way.
>
> -Josh
>
>
> On 05/26/2016 12:11 PM, Chitrak Gupta wrote:
>
> Hi Josh,
>
> Thanks a lot for the explanation. Could you clarify a bit on what you
> meant by "doesn't depend on any default behavior for which frame gets
> selected"?
>
> On Thu, May 26, 2016 at 7:46 AM, Josh Vermaas <vermaas2_at_illinois.edu>
> wrote:
>
>> Hi Chitrak,
>>
>> The first one would be the one I recommend, as its the loop form I tend
>> to use. It doesn't need the $sel delete statement to avoid leaking memory,
>> and doesn't depend on any default behavior for which frame gets selected--001a114dd93e1131be0533c4ad2a--