Hi,
When I use both LJ and Buckingham non-bonded interaction in my topology
file, specially like the following:
--------------------------------
[ nonbond_params ]
; i j func c6 c12
OW OW 1 ...
; i j func a b c6
C C 2 ...
--------------------------------
When I run grompp using this topology file, I got such message:
--------------------------------
WARNING 2 [file "topol.top", line 26]:
Trying to add BuckingHam while the default nonbond type is LJ (SR)
--------------------------------
Then is this topology OK? or I need other modifications?
Thanks in advance.
Yours Sincerely,
WU
Yanbin
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