VMD-L Mailing List

From: Karteek Kumar (karthik3327_at_gmail.com)
Date: Sat Mar 30 2019 - 22:14:27 CDT

Hi Aashish,

If you want to analyze specific frames, you can use catdcd with first and
last options to select few frames.

If you want distance for the entire trajectory. Write a tcl script and run
it in vmd text mode as

*vmd -dispdev text -e your_script.tcl*

Hope it helps.

Karteek

On Sat, Mar 30, 2019 at 7:46 PM Giacomo Fiorin <giacomo.fiorin_at_gmail.com>
wrote:

> Hello Aashish, if you are concerned that your DCD file exceeds the
> available memory, you can select from the File menu or from the mol command
> a range of frames to load (first, last) read only every n-th frame (skip).
>
> Giacomo
>
> On Sat, Mar 30, 2019 at 7:46 AM Aashish Bhatt <aashish.ph16221_at_inst.ac.in>
> wrote:
>
>> Dear Sir/Ma'am
>>
>> I have very big dcd file. When i upload the trajectory vmd program is
>> crashed.
>> Is possible to read dcd file without uploading and calculate bond
>> distance and bond angle?
>>
>>
>> Best Regards
>>
>> Aashish Bhatt
>>
>>
>
> --
> Giacomo Fiorin
> Associate Professor of Research, Temple University, Philadelphia, PA
> Contractor, National Institutes of Health, Bethesda, MD
> http://goo.gl/Q3TBQU
> https://github.com/giacomofiorin
>