VMD-L Mailing List

From: Aashish Bhatt (aashish.ph16221_at_inst.ac.in)
Date: Sun Mar 31 2019 - 04:55:13 CDT

Thank you all for giving information.
I have done by via catdcd.

Regards
Aashish

On Sun, Mar 31, 2019 at 9:11 AM Ernesto Aleksei Delgado Hurtado <
erdelgado_at_udec.cl> wrote:

> El 2019-03-30 08:23, Aashish Bhatt escribió:
> > 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
> Hi
>
> If you know the index of the atoms you can write a script that loads a
> frame into memory, calculates the bond distance, saves it into a file
> and then deletes it.
>
>