[gmx-users] Combining LJ and buckingham potential
osmair07 at hotmail.com
Fri Apr 17 21:51:16 CEST 2009
I have tried to simulate a crystal in water solvent, however I
found the error:
ERROR 0 [file "new-topol3.top", line 19]:
Trying to add LJ (SR) while the default nonbond type is Buck.ham (SR)
So, my question: How can I use or define LJ potential (for water) and
buckingham potential (for a crystal) in the same *.top, *.itp?
Osmair V. Oliveira
Descubra seu lado desconhecido com o novo Windows Live!
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