dear Justin, I should appreciate your guides in this period. They're really helpful but again, I have some problem:
I started over, several times as you suggested. I replaced the name of SOL with N2. The problem of coordinates was solved by manual addition of #N2 molecules to topol.top each time. But this error appears: Program grompp_d, Source file: topio.c, line: 587 Molecule type 'N2' contains no atoms I checked the program of topio, grompp, and etc but I couldn't find SOL molecule type to know how I can fix it. Would you please give me an idea? Is gromacs able to simulate in non-aqous condition? Cheers, Sarah K.
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