[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!
Huang liangliang

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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