The next step is to combine the molecular structure (<TT><a href="gro.html">.gro</a></TT> file),
topology (<TT><a href="top.html">.top</a></TT> file) MD-parameters (<TT><a href="mdp_opt.html">.mdp</a></TT> file) and
(optionally) the
The next step is to combine the molecular structure (<TT><a href="gro.html">.gro</a></TT> file),
topology (<TT><a href="top.html">.top</a></TT> file) MD-parameters (<TT><a href="mdp_opt.html">.mdp</a></TT> file) and
(optionally) the