[gmx-users] re-How to evaluate the Hbond and non-bonded interactions between ligand-receptor

mmousivand93 mmousivand93 at ut.ac.ir
Tue Aug 28 00:27:13 CEST 2018


Dear Dr. Quyen and all users 

Thanks a lot for your replying. How can I determine the most efficient
interactions(the Hbond and non-bonded
interactions, life time,Hbond occupancy and etc ...)  observed during 50
ns molecular dynamic simulations in ssDNA-ligand complex. Using hbond
command in gromacs I have see only the number of hydrogen bond. 

Best regards


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