Dear Amber Users,
I am trying to find the native contact for my molecule, but I keep getting "segmentation fault". I decided to use a smaller molecule with about 20 residues: TC5b_linear.pdb
The command I had was: cpptraj -p polyAT_wat.prmtop < testing_contact.in
The script for "testing_contact.in":
trajin polyAT_wat_md1.mdcrd
contacts first byresidue out testing_md1.out distance 6.0 .CA
Thank you in advance!
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Received on Mon Apr 21 2014 - 23:30:02 PDT
