[gmx-users] Buckingham to Lennard-Jones

Matteus Lindgren matteus.lindgren at chem.umu.se
Tue Feb 2 11:25:19 CET 2010



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. 





Matteus Lindgren, graduate student
Department of Chemistry, Umeå University 
SE-901 87 Umeå, Sweden
Phone:  +46 (0)90-7865368  



-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20100202/32682d2b/attachment.html>

More information about the gromacs.org_gmx-users mailing list