Date: Tue, 10 Sep 2024 20:48:10 +0000
Hi all,
Can someone explain how the fraction is computed for native contacts output. I am measuring contacts using this cpptraj input file and I see that when you add Frac column the net number is >1
"nativecontacts name NC1 :1-22&!.H= :23-83&!.H= writecontacts native-contacts.dat resout resout.dat distance 3.0 byresidue out all-residues.dat mindist maxdist map mapout gnu contactpdb contactspdb.pdb series seriesout native-contacts-series.dat
run
lifetime NC1[NC] out lifetime.dat
run"
I am not sure how the Frac is computed. Also in the contacts_output.pdb file what am I expecting to see?
Thanks,
Debarati
[cid:68622d34-2c9f-4027-b8c3-cd2337c06bef]
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