VMD-L Mailing List

From: Brittany Lott (Brittany.Lott_at_charlottecountryday.org)
Date: Mon Mar 04 2019 - 20:24:54 CST

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<mailto:brittany.lott_at_charlottecountryday.org>
[CCDS]

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