Hi,
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?
Thanks,
Osmair V. Oliveira
Ph.D. Student
Brazil
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