[gmx-users] [Fwd: [SPAM] Ask for help of using Gromacs]
David van der Spoel
spoel at xray.bmc.uu.se
Sun Jan 8 12:25:38 CET 2006
I'm new to Gromacs and want to do the MD simulation of carbon nanotube
.My system is made up of a PBC water box with a carbon nanotube placed
center of the water box,no single water molecule is inside the tube.But
I even donn't know how to convert the nanotube.pdb to needed .top and
.gro file with pdb2gmx,would you please give me some help ?
Many thanks in advance!
Sincerely,
Huang liangliang
------------------------------------------------------------------------
qphll
2006-01-08
--
David.
________________________________________________________________________
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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