----- Original Message ----- From: Nilesh Dhumal <ndhu...@andrew.cmu.edu> Date: Tuesday, August 31, 2010 12:42 Subject: [gmx-users] g_hbond To: gmx-users@gromacs.org
> Hello, > I have a system with a glucose molecule and 256 water molecules. > I want to find out the number of hydrogen bond between the > hydrogen atom > of OH group of glucose and the oxygen atom of water. > How can I make the index file. Start here http://www.gromacs.org/Documentation/Gromacs_Utilities/make_ndx Mark
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