VMD-L Mailing List

From: Joao Ribeiro (jribeiro_at_ks.uiuc.edu)
Date: Fri Mar 06 2020 - 11:00:48 CST

Hi Soodabeh,

 

Using the same mechanism to add the topology to QwikMD, you can delete it as well. When you said you deleted the topology, how did you do that?

 

QwikMD stores the topology in the qwikmd/topparfolder, in your home directory. It also adds an entry to the toppartable.txt file. More information at http://www.ks.uiuc.edu/Research/vmd/plugins/qwikmd/

 

 

Best,

 

João

 

 

From: <owner-vmd-l_at_ks.uiuc.edu> on behalf of soodabeh ghaffari <soodabehghaffari_at_gmail.com>
Date: Thursday, March 5, 2020 at 9:35 AM
To: Vmd l <vmd-l_at_ks.uiuc.edu>
Subject: vmd-l: reseting namd library and uploading new topology file

 

Dear Sir/Madam,

Previously I did qwikMD and uploaded the topology file. Now, I want to work with the same system and do qwikMD but with modified topology file.

After I load my structure, the topology and parameter is green in structure manipulation, but I want it to be red to upload my modified topology file. Even though I delete the topology file I provided previously in Add topo+ param, it does not turn red.

I appreciate your help

Thank you

Best regards,

Soodabeh