s lal badshah wrote:
Dear Justin,
I try again by correcting the typo mistake I made, this time it gives
the following type of out put;
You still have a bad starting structure, even after your EM. Have a look
at these atoms that are causing the actual error messages, since it
might be a localised effect. Look for steric clashes, bonds that are too
long, isolated water molecules, apparently non-formed bonds, etc.
Mark
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