[gmx-users] How to use the B-T potential with Gromacs

[David van der Spoel]

jackyxh at 163.com wrote:
> Hello, all GMX group and users,
>    I'm axially compressing a Carbon Nanotube (CNT) with GMX, using AFM-Pull.
>    Many referrences say the Brenner-Tersoff potential is employed to 
> simulate the bonds and angles in CNT. 
>    I wonder whether it could be used in GMX and HOW. Has anyone tried that?
>    Greatly appreciated to any suggestions.
>                                            thankfully, Jacky Allon
>  
What does it look like?
Have you checked which bonded potentials are available in GROMACS?

-- 
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://folding.bmc.uu.se
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