From: Hannes Loeffler (Hannes.Loeffler_at_stfc.ac.uk)
Date: Wed May 17 2017 - 03:37:52 CDT
> Is that what I am supposed to do? if so, how can I tight (for
> example) CD and CD1 atoms together by a harmonic restraint? at the
> beginning, there is no distance between them.
You need to mark the outgoing group with -1 in the column that you have
chosen (alchCol). Look into the extraBonds feature to set additional
restraints.
Cheers,
Hannes.
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