[gmx-developers] LJ interaction subroutine

[David van der Spoel]

On Wed, 28 Nov 2001, sadhna wrote:

>
>hi,
>   I want to modify the subroutine used for calculating VdW interactions
>in gromacs. How can i access the code ? I also want to vary LJ parameters
>according to my requirement.
You can download the code, but this bit of it is not trivial. Can you not
use the table forces instead? The parameters can be varied at will in the
topology file.

Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++