VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Wed Dec 13 2006 - 15:11:27 CST

On Wed, 13 Dec 2006, ivana adamovic wrote:

IA> Hi ,
IA>
IA> I am using VMD 1.8.4 and I have downloaded apbs-0.4.0. I have tried
IA> using APBS electrostatic tool to obtain electrostatic potential, but
IA> it didn't work ... VMD complained that it can't locate apbs. Also I am
IA> not quite sure about how to properly set up all parameters needed for
IA> this calculations. Is there an example somewhere?

please have a look at:
http://www.ks.uiuc.edu/Research/vmd/plugins/apbsrun/

you will need to update to VMD 1.8.5 for that.

cheers,
   axel.

IA>
IA> Thanks a lot,
IA>
IA> Ivana
IA> 

-- 
=======================================================================
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.