VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Fri Aug 01 2008 - 09:28:58 CDT

On Fri, 1 Aug 2008, rebeca_at_mmb.pcb.ub.es wrote:

RCF> Hello,
RCF> is it possible to ionize with VMD if instead of a PSF file I have a TOP file and
RCF> a CRD or PDB from Amber?

hello rebeca,

it should be possible using the cionize tool.

cheers,
   axel.

RCF>
RCF> Thank you very much for your help.
RCF>
RCF> Rebeca García Fandiño
RCF> Parc Cientific de Barcelona
RCF> rebeca_at_mmb.pcb.ub.es
RCF>
RCF> 

-- 
=======================================================================
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
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If you make something idiot-proof, the universe creates a better idiot.