[gmx-users] Impact of ignoring hydrogens

su sun.iba2 at gmail.com
Mon Aug 31 14:15:52 CEST 2015


Hello All
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.
Thank You
Suniba 

Sent from my iPhone


More information about the gromacs.org_gmx-users mailing list