[gmx-users] hydrogen-bonded complex
h.sun3 at uq.edu.au
Mon Jul 26 04:35:41 CEST 2010
I am trying to simulate a hydrogen-bonded complex. When I treated the
pdb file with pdb2gmx, the structure of gro file blew up. Could you give
me some hint on what the potential problem is? What and in which file
should I give some specification for hydrogen bonding? Many thanks.
With best regards.
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