[gmx-users] How to countting hydrogen bond lifetime and donor--acceptor residue's atom ?
gromacs564 at 126.com
Thu Feb 24 13:11:46 CET 2011
I want to count all of the hydrogen bond's lifetime and donor-acceptor atoms in simulation,but I don't know how to do it.
In many papers,the hydrogen bonds are list in this form:
> Donor Acceptor %Exist.
> ARG58 NH1 SOL2253 OW 21.663
> ARG58 NH1 SOL7338 OW 0.160
> ARG58 NE SOL3595 OW 1.359
Can you give me some proposal?
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