[gmx-users] fatal error in minimization

Anamika Awasthi aawasthi28 at gmail.com
Thu Jun 12 08:54:28 CEST 2008


Dear Friends,
        I extracted few conformation from my running job by using trjconv.
but now as I want to minimize this conformation it is showing Fatal error
that  *.pdb  and *.top coordinates does not match.

         I gave this command for my minimization grompp -f em.mdp -c *.pdb
-o em.tpr -p *.top

   Thanks
      Anamika
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