VMD-L Mailing List

From: Diego Gomes (diego.enry_at_gmail.com)
Date: Mon Sep 30 2024 - 10:15:56 CDT

Hi Roni,
the way the NAMDEnergy plugin is written it resets the path to NAMD to
"DUMMY" the 1st time it runs.

A solution is hardcode the namd3 path in "namdenergy.tcl"
*/Applications/VMD
1.9.4a57-arm64-Rev12.app/Contents/vmd/plugins/noarch/tcl/namdenergy1.4/namdenergy.tcl
<https://urldefense.com/v3/__http://1.9.4a57-arm64-Rev12.app/Contents/vmd/plugins/noarch/tcl/namdenergy1.4/namdenergy.tcl__;!!DZ3fjg!_s_11NnRXmzuj3IgbNGee6I1ZKyRCOOstJMW59XvIjDpdhCKDCJEs3YtqJeKwPc0Hpjbnv1RYIaInFU1K1LB$ >*

You need to set namdcmd to namd3.
*variable
namdcmd "/Users/diego/Downloads/NAMD_3.0_MacOS-universal-multicore/namd3"*

You may also set this variable *after* launching NAMDEnergy for the 1st
time.
set ::namdEnergy::namdcmd
/Users/diego/Downloads/NAMD_3.0_MacOS-universal-multicore/namd3

Friendly,
Diego.

On Thu, Sep 26, 2024 at 11:48 PM Roni Saiba <ronis_at_imsc.res.in> wrote:

> Hello all,
>
> I have NAMD 3.0 installed on my computer. I am using VMD 1.9.4. When
> using NAMD energy plugin, I get a popup to specify path to NAMD
> installation, where I can then manually point it to the NAMD 3.0
> binary. Is there any way to make VMD find the NAMD 3.0 binary
> automatically, maybe by editing vmdrc?
>
> Regards,
> Roni
>
> 

-- 
Diego Enry B. Gomes, PhD
Department of Physics at Auburn University &
NIH Center for Macromolecular Modeling and Visualization
Leach Science Center - Ste. 3182 - Auburn, AL
dgomes_at_auburn.edu