On Thu, Nov 14, 2019, 조준범 wrote:
>
>I have a question about the NONBONDED_PARM_INDEX section of prmtop file. Is
>it okay with different index having same nonbonded parameter?
>
>eg.
>index (nonbonded interaction between IAC(1) - IAC(11)) = 11
>index (nonbonded interaction between IAC(11) - IAC(1)) = 111
You'll have to run some tests to make sure you are getting the
results you expect. But I don't think(?) there should be any problem
there.
....dac
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Received on Thu Nov 14 2019 - 06:00:03 PST
