VMD-L Mailing List

From: McGuire, Kelly (mcg05004_at_byui.edu)
Date: Thu Mar 07 2019 - 23:38:20 CST

Thanks Joshua, I will add that to my script. How does VMD handle memory while Volmap is running? Does VMD run out of RAM as Volmap is running?

Kelly L. McGuire

PhD Candidate

Biophysics

Department of Physiology and Developmental Biology

Brigham Young University

LSB 3050

Provo, UT 84602

________________________________
From: Joshua Moore <jdmoore_at_ncsu.edu>
Sent: Thursday, March 7, 2019 10:33 PM
To: Bennion, Brian
Cc: McGuire, Kelly; VMD Mailing LIst
Subject: Re: vmd-l: RE: VMD Text Mode

I think you might need to add "waitfor all" at the end of your addfile commands.

Sent from my iPhone

On Mar 7, 2019, at 8:07 PM, Bennion, Brian <bennion1_at_llnl.gov<mailto:bennion1_at_llnl.gov>> wrote:

Does the vmd session crash? What is your hardware/OS that you are using for the textmode session?

Brian

From: owner-vmd-l_at_ks.uiuc.edu<mailto:owner-vmd-l_at_ks.uiuc.edu> <owner-vmd-l_at_ks.uiuc.edu<mailto:owner-vmd-l_at_ks.uiuc.edu>> On Behalf Of McGuire, Kelly
Sent: Thursday, March 7, 2019 4:02 PM
To: VMD Mailing LIst <vmd-l_at_ks.uiuc.edu<mailto:vmd-l_at_ks.uiuc.edu>>
Subject: vmd-l: VMD Text Mode

I am trying VMD text mode for the first time since I have really large DCD files. I tried loading my DCD, but it doesn't seem to load all of the frames. I do:

mol new Simulation_QwikMD.psf type psf

mol addfile MD1.dcd type dcd first 0 last -1 step 1

There should be 90,000 frames, but i only loads ~3,200 frames. What am I doing wrong? Is VMD text mode still RAM dependent for DCD file sizes that can be loaded?

Kelly L. McGuire

PhD Candidate

Biophysics

Department of Physiology and Developmental Biology

Brigham Young University

LSB 3050

Provo, UT 84602