[gmx-users] How to countting hydrogen bond lifetime and donor--acceptor residue's atom ?

gromacs564 gromacs564 at 126.com
Thu Feb 24 13:11:46 CET 2011


Dear all
 
   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?

best regards
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