[gmx-users] Question about MD simulations of carbon nanotube manipulation
FUNG WAI KEUNG
wkfung at acae.cuhk.edu.hk
Thu Jun 26 10:05:02 CEST 2003
Dear GROMACS users,
I am new to GROMACS and molecular dynamic simulation. I am going to
perform simulation on manipulating carbon nanotubes using AFM. After
reading the manual of GROMACS, I still cannot figure out how to define
force field(s) to simulate explicitly defined movement of the AFM tip
(constructed by atoms packed in a pyramid shape) for CNT manipulation.
Does anyone has experience in defining similar kind of force fields? or if
Gromacs is an appropriate tool for similar kind of simulations, would you
please suggest me suitable simulation packages for my purpose?
Thanks in advance.
Department of Automation and Computer-Aided Engineering,
The Chinese University of Hong Kong,
Tel: (852)26098056 Fax: (852)26036002
Email: wkfung at acae.cuhk.edu.hk
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