[gmx-users] Incorrectly added water molecule by genbox.
addiw7 at googlemail.com
Thu Jul 3 09:17:06 CEST 2014
I have a following issue. Genbox seems to add a water molecule inside small
protein cavity and it does not belong there. Can I manually remove it from
*gro file? What with the numbering of residues in this situation? The
problem is that this water molecule can't be settled during minimization
and it spoils everything.
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