Hello,
I am trying to calculate lipid order parameter in cpptraj. I have two
questions
1. What is the difference between the following two (I seem to get the
exact same output in both)
lipidorder out filename.dat scd ....(mask)...
lipidorder out filename.dat z scd ....(mask)....
2. Second, I am still a bit confused about the mask syntax. If I want to
select say C115 of PA chain of POPC, then should it be the following?
lipidorder out filename.dat scd ":PA.C115" ":PA.H15R" ":PA.H15S"
I saw previous posts where people used <dot> instead of . and ended up with
an empty output.....which also seems to happen to me. Just want to verify
which is the correct way.
Best regards,
Chitrak.
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Received on Wed Feb 07 2018 - 16:30:02 PST
