[gmx-users] nonbond_params

[David van der Spoel]

On Sat, 8 Jul 2006, ARGYRIOS KARATRANTOS wrote:

>HI Gromacs users, 
>
>my question is if i have to denote under the [nonbond_params] same non bonded
>atoms in a polymeric chain, such as C-C nonbonded interactions.
>
>i am giving the lennard jones parameters in the [atomtypes] for carbon(C). 
>
>do i have to write again the nonbonded interaction of C-C under the
>[nonbond_params] section
No you don't.

If you are happy with the mixing parameters generated by one of the 
combination  algorithms you do not have to specify addition parameters 
there.
You can check the parameters using gmxdump 
>
>thanks in advance
>Argyris Karatrantos
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-- 
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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