From: Bennion, Brian (Bennion1_at_llnl.gov)
Date: Wed Jun 08 2011 - 16:14:31 CDT

Hello All,

I have run into some issues with the vmd1.9 based paramtools extension.
First, when loading a frequency job i get an error stating that hesstrans is an invalid command.

Second, after all files are loaded or the project file is finally loaded, I select the edit->atom properties

A new window is displayed with the atoms and the known properties. However, in the editable atom properties window where one adds or modifies atom information like charges and names, it appears that the VDWrmin14 field has been populated with the default 0.000 charges and the lewis fied now contains the NPA atomic charge.

This is very annoying in that you must change the value in the lewis field back to an integer value if you want to submit any other changes that you made to that atoms properties.

Does anyone else use this extension?

Sincerely
Brian Bennion