VMD-L Mailing List

From: João Ribeiro (jribeiro_at_ks.uiuc.edu)
Date: Tue Mar 05 2019 - 09:21:08 CST

Dear Brittany,

Unfortunately, the release of the VMD 1.9.4 alpha version for Windows has
been delayed for several reasons, but a lot of QwikMD issues were already
fixed in the current version of the plugin. Meanwhile, for the Windows
users, one can install the beta version available at
http://www.ks.uiuc.edu/Research/qwikmd/. Please follow the instructions in
the README file to install. Please be aware of the format and syntax of the
vmd.rc file. The WordPad program tends to not be the best program to edit
this file. You can use the internal text editor in VMD
(Extensions->Data->Text Editor) to ensure that no unintended extra
character is introduced.

Like many other programs on Windows, one should not interfere too much with
the installation folder of the programs. Since NAMD has no proper installer
and no requirement for one, I would suggest you to create a folder in your
user folder and put NAMD there. Once you pointed your environment PATH
variable to the right place, it does not really matter where you put it.

Please let me know if this worked for you or if other issues came up.

Best

João

On Mon, Mar 4, 2019 at 8:25 PM Brittany Lott <
Brittany.Lott_at_charlottecountryday.org> wrote:

> Hi all,
>
>
>
> I am really excited to test out the new QwickMD plugin and am trying to
> work through the ubiquitin tutorial. I’ve encountered a big problem right
> at the beginning—I can’t get QwikMD to load the PDB file!
>
>
>
> I am running Windows 10 Enterprise and I just reinstalled VMD 1.9.3 and
> NAMD (not sure where to put it—I put it in the same University of Illinois
> folder in my Program Files (x86) that VMD was installed to) and I updated
> the PATH to include this location of NAMD. When I open QwikMD, I get a
> pop-up dialog box that tells me “The folder “qwikmd” will be created in
> your home directory to save user-defined MD simulation templates and
> residues topologies and parameters preferences. A file named qwikmd.rc will
> also be created to save this information.”
>
>
>
> However, the vmd.exe output reads the following line as soon as I open
> QwikMD:
>
>
>
> vmd > ERROR) Creation of window for 'qwikmd' failed (can't create
> directory "P:/": no such file or directory).
>
>
>
> Likewise, when I try to load the PDB file (either by entering the PDB id
> or by browsing on my computer to the downloaded file), I get another pop-up
> Application Error with the following message at the top:
>
>
>
> can’t read “env(QWIKMDFOLDER)”: no such variable
>
>
>
> I’ve tried to cwd in the Tk console before and after opening QwikMD to see
> if that affects anything, but with my limited abilities I can’t figure out
> where the problem is. As far as I know, I’ve never had access to a P:/
> drive on this computer (there are other networks I use at work, mostly
> cloud-based folders that sync to my machine over any wi-fi and occasionally
> a W:/ drive that I can only access on the local network at work) so I’m not
> sure how this P:/ directory thing came up. I apologize for my lengthy post,
> but can anyone shed any light on what my problem might be or how to get
> around it?
>
>
>
> Thanks so much!
>
> Brittany
>
>
>
> _______________________________________
>
> Brittany Lott, PhD
>
> Upper School Chemistry Instructor
>
> (704) 943-4704
>
> Purdy Center 211
>
> brittany.lott_at_charlottecountryday.org
>
> [image: CCDS]
>
>
>
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>
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> 

-- 
……………………………………………………...
João Vieira Ribeiro
Theoretical and Computational Biophysics Group
Beckman Institute, University of Illinois
http://www.ks.uiuc.edu/~jribeiro/
jribeiro_at_ks.uiuc.edu
+1 (217) 3005851

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