Justin, Are you sure? I installed 4.5.3 and tried Methanol, MTH, MeOH.
Nothing changed. I suggest you to try it by yourself. Don't try to remind people the help rules. JUST HELP OR DONOT HELP. mustafa This topology defines the [moleculetype] name as "Methanol," which is the name that needs to be used in the [molecules] directive below. But then, too, you're not using the same residue name either (MTH instead of MeOH), so it is still not possible to say what's going wrong. -Justin
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