[gmx-users] Decane layer
spoel at xray.bmc.uu.se
Thu Jul 21 19:23:53 CEST 2005
On Thu, 2005-07-21 at 18:06 +0100, M.Naser wrote:
> Hi All,
> I have trying to make a dacane layer and having some problems. I tried
> with genconf and then convert it to pdb file. When run pdb2gmx all the
> duplicate atoms are deleted, so it was not helpful. I also tryied with
> x2top. I managed to edit xxx.n2t file but unfortunatly, grompp is
> complaining saying it could not recognize C1 atom.
> Can any one please advise me any better way to make a dacane layer?
there is one in the distribution and an itp file too.
> With best regards,
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David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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