VMD-L Mailing List

From: Ernesto Aleksei Delgado Hurtado (erdelgado_at_udec.cl)
Date: Sat Mar 30 2019 - 21:46:36 CDT

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.