VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Thu Aug 03 2006 - 09:42:01 CDT

On Thu, 3 Aug 2006, Jennifer Lardge wrote:

JL> Hi,
JL>
JL> I am using vmd-1.8.4 and am trying to add the vasp plugins.

jennifer,

JL> I have downloaded the plugins following the instructions on the website.
JL> However, when I try and load a new molecule the 'Determine file type' list does
JL> not show any vasp file types (eg. XDATCAR).

you have to make sure that the plugins have a matching
ABI and API to the VMD version. this has been changes
a couple of times to add more features.

JL> Do I need to do anything else with vmd before I can load vasp files?
JL>
JL> Also, when I initially downloaded vmd I did not have the 'periodic_table.h'
JL> header file. I have since created and added a copy of this file myself in the
JL> same places as the two other header files. Does this have any significance?

it should be bundled with the source code version of VMD.
check out the plugins/molfile_plugin/src directory.

cheers,
   axel.

JL>
JL> Thanks for your help!
JL> Jennifer
JL> 

-- 
=======================================================================
Axel Kohlmeyer   akohlmey_at_cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.