[gmx-users] Problem building a new polymer using pdb2gmx ....(solved)
David van der Spoel
spoel at xray.bmc.uu.se
Sat Oct 18 20:20:55 CEST 2008
Alberto Sergio Garay wrote:
> Dear David
> Thank you for your time and attention. Using your last advice I finally
> could resolve the problem.
> As you told me I generated the file xlateat.dat with zero in the first
> line (on my working directory) and everything work properly.
> I used:
> pdb2gmx -f polymer.gro -p top -o polymer2.gro -ter
> Thank you again.
You still need to check and double check that your topology is OK
though... Good luck.
David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
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