From: jing liang (jingliang2015_at_gmail.com)
Date: Thu Dec 02 2021 - 03:23:24 CST
I don't understand well the description of the parameter qmLinkElement from
the documentation page:
It looks to me that when there are two or more bonds I need to pass the
atom numbers of the MM atoms involved. Are these atom numbers obtained from
the *psf file?
I used QwikMD for setting the simulation and when I look at the value that
this parameter got it says:
#QMLinkElement "18 38 Cl"
but the numbers 18 and 38 don't correspond to the atom numbers in the psf
file of the atoms involved in the bond.
I wonder how the numbers 18 and 38 are obtained? What they are?
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