[gmx-users] Impact of ignoring hydrogens
sun.iba2 at gmail.com
Mon Aug 31 14:15:52 CEST 2015
I am doing protein ligand MD to view the interactions and effect of ligand on protein structure. However the NMR structure of protein encountered some warnings and considering that, i ignored hydrogens by -ignh. I believe that the hydrogen bonding might reduce due to this action. Is that true? Can anyone please clear me what happens after the application of -ignh.
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