[gmx-users] Buckingham to Lennard-Jones

[XAvier Periole]

On Feb 2, 2010, at 11:25 AM, Matteus Lindgren wrote:

> Hi,
>
> Is it possible to use both Lennard-Jones and Buckingham parameters  
> in the same simulation?
I believe it does allow it, you need to define the potentials and give  
the corresponding one to the
atom pairs concerned.
See the chapter on topology
>
> If not, can the program sigeps convert from Buckingham to LJ? It  
> seems to me it cannot.
>
> Thanks
> Matteus
> ---------------------------------------------------------
> Matteus Lindgren, graduate student
> Department of Chemistry, Umeå University
> SE-901 87 Umeå, Sweden
> Phone:  +46 (0)90-7865368
>
>
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