Hi everyone,
I am bit confused, in my system I have a ligand bond to it.
I want to see that my ligand is forming Hydrogen bonds with which amino acids.
Can anyone suggest me how to do it? I am using cpptraj for this, I know how to see H-bond between all ligands,
Can any one help me in modifying my script?
trajin aMD_0_300ns.crd.gz
strip :WAT
strip :Cl-
hbond :1-339 out aMD_hb.out avgout aMD_hb.out
Should I just write my ligand number? instead of 1-339?
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Received on Sun Feb 12 2017 - 08:30:04 PST
