From: Mikhail Suyetin (msuyetin_at_gmail.com)
Date: Mon Jul 12 2010 - 05:53:28 CDT
I need to simulate nanotube interaction with hydrogen molecules. H2
treated as a single atom. I tried to use for this purpose solvate
plugin, but I got a problem:
h2 molecules number did not increase. Could anybody help me?
h2.top - single h2 molecule, treated as a single atom.
h2.pdb - pdb file of a single h2
h2.psf - psf file of a single h2
h2-group-8-2.pdb -pdb file of 8 h2 molecules
h2-group-8-2.psf - psf file of 8 h2 molecules
multiplication.tcl - script for creating 8 h2 molecules.
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