[gmx-users] Combining LJ and buckingham potential

osmair oliveira 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
Ph.D. Student

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