VMD-L Mailing List
From: Roni Saiba (Ronis_at_imsc.res.in)
Date: Mon Sep 30 2024 - 23:39:10 CDT
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Much appreciated for help.
Regards,
Roni
Quoting Diego Gomes <diego.enry_at_gmail.com>:
> 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
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