mfbilsel at gmail.com
Fri Jan 7 18:00:59 CET 2011
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.
This topology defines the [moleculetype] name as "Methanol," which is the
that needs to be used in the [molecules] directive below. But then, too,
not using the same residue name either (MTH instead of MeOH), so it is still
possible to say what's going wrong.
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