VMD-L Mailing List

From: Leonardo Palmieri (leopalmieri1_at_gmail.com)
Date: Fri May 21 2021 - 12:55:57 CDT

Dear all,

I'm using VMD to analyse big DCD files, about 100 Gb and I will soon
use to analyse bigger files, about 1 Tb, striping waters. It's
unusual, even for big machines, to have some amount of RAM.

I know and use bigdcd.tcl to run some scripts (and it works) and also
the possibility to load only part of frames or changing stride of a
trajectory file in the Molecule File Browser menu.

All of that is time consuming for µs trajectories or have not the
analysis potencial of a lot of tools built in in VMD.

So, is there some way to use VMD with graphics and all the interactive
powerful Analysis tools in Extensions, without loading the entire
trajectory file in RAM memory? Something like a "bigdcd mode", that
will load and unload automatically on demand the DCD file, without
regard its size, using only about 2 Mb of RAM, just like bigdcd.tcl
script does?

Is that possible?

Best regards! 

-- 
att
Leonardo Palmieri
Pai de gente
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