Hi,
for a PCA I am trying to calculate the average between the unbound C2 domain of factor VIII (
https://www.rcsb.org/structure/1d7p) and the bound C2 domain extracted from
https://www.rcsb.org/structure/1iqd .
My problem is that the unbound C2 domain has 3 additional residues at the beginning. After simulation, residue numbers run from 1-159 whereas the extracted unbound structure has the numbering 1-156.
When I calculate the average over the two structures it seems like the wrong residues are matched.
parm 1iqd/WT.prmtop [1iqd]
parm 1d7p/WT.prmtop [1d7p]
trajin 1iqd/WT.inpcrd parm [1iqd]
trajin 1d7p/WT.inpcrd parm [1d7p]
average 1iqd_1d7p_avrg.pdb .CA
How can I tell cpptraj that I want to match residues 4-159 with 1-156?
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Received on Mon Apr 23 2018 - 05:00:02 PDT
