[gmx-users] energy corresponding to H-bond

supti mukherjee suptimukherjee at gmail.com
Wed Jul 28 12:56:24 CEST 2010

Dear All,
Can anybody please tell me that if I would want to find out the change in
related to Hydrogen bond formation between two simulations, which of the
energy terms ( when calculated through g_energy) should be used? The
potential energy term does not include contribution from hydrogen bonding,
right? So which term can depict the change?
Supti Mukhopadhyay
NIMHANS, Bangalore
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