Hi Originally, in the topol.top file => [molecule] solute 1
After the command: genbox -cp one_solute.gro -cs spc216.gro -ci one_solute.gro -nmol N -p topol.top in the topol.top file => [molecule] solute 1 solvent 5000 I think the flag "-p topol.top" in the genbox command did not do it correctly. I am considering the two possible modification on the topol.top file [molecule] solute (1+N) solvent 5000 [molecule] solute (1+N) solvent (5000 - N) Which one is correct? Or, none of them is correct? What is the correct form of it? Thank you Lin
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