[gmx-users] Re: Warning when using both LJ and Buckingham non-bonded interaction

David van der Spoel spoel at xray.bmc.uu.se
Thu Jun 14 08:21:36 CEST 2007

WU Yanbin wrote:
> Hi, Everybody,
>   And I found that if this simulation is on gromacs3.3, the warning 
> becomes error.
>                                                                Yours 
> Sincerely,

indeed, since this is not implemented. you canhowever use table 
potentials that differe between interaction pairs.

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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