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