[gmx-users] Buckingham to Lennard-Jones

[Matteus Lindgren]

Hi,

 

Is it possible to use both Lennard-Jones and Buckingham parameters in the
same simulation?

 

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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