Re: Problem with running NAMD config file

From: Ropon-Palacios G. (biodano.geo_at_gmail.com)
Date: Thu Feb 11 2021 - 14:19:37 CST

 

Nu need add “parameters synxtaxis for your second parm file”

From: Tiglath Moradkhan <moradkhantig_at_gmail.com>
Date: Thursday, February 11, 2021 at 12:28 PM
To: "ROPÓN-PALACIOS G." <biodano.geo_at_gmail.com>
Cc: <namd-l_at_ks.uiuc.edu>
Subject: Re: namd-l: Problem with running NAMD config file

 

Yes. Here it is.

 

On Wed, Feb 10, 2021 at 8:06 PM "ROPÓN-PALACIOS G." <biodano.geo_at_gmail.com> wrote:

You can attach config file.

Enviado desde mi iPhone

> El 10 feb. 2021, a la(s) 8:04 p. m., Tiglath Moradkhan <moradkhantig_at_gmail.com> escribió:
>
> 
> To the NAMD community
>
> I'm a new a NAMD user and I'm trying to equilibrate a lipoprotein system via a simple minimization and equilibration simulation. I've written the required NAMD config file using the NAMD tutorials but when I try running it I get the following error message:
>
> FATAL ERROR: tried before startup to read config file parameter that was not set
> while executing
> "C:/Users/tig_m/Documents/ThesisProjectMDSimulations/PyModModels/CaliforniaSeaLionApoA1/LipidBound/par_all36_lipid.prm"
> (file "CSApoA1.conf" line 30)
>
> I don't understand what the issue is. I've checked online to resolve the issue and found that the .prm extension are for the parameter files so there shouldn't be a problem with providing the correct parameter files. Therefore I'm confused why I'm getting this error message because I got these files from the provided plugin tcl folder.
>
> I would be very glad for your help.
>
>
> Thanks
>
> Tiglath Moradkhan

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