[gmx-users] from dummy atom representation back to normal

Xavier Periole x.periole at chem.rug.nl
Fri Nov 5 12:54:28 CET 2004

Dagmar Floeck wrote:

> hello!
> i used dummy atoms in a simulation but know want to
> convert the .gro output to a normal .pdb which can then be
> used by other programms.
> does anybody know how to do that?

You can simply edit your file and change the atom names !!


   Xavier Periole - Ph.D.

   Dept. of Biophysical Chemistry / MD Group 
   Univ. of Groningen
   Nijenborgh 4
   9747 AG Groningen
   The Netherlands

   Tel: +31-503634329
   Fax: +31-503634800
   email: x.periole at chem.rug.nl
   web-page: http://md.chem.rug.nl/~periole

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