Dear all,
I have run a 100ns simulation of protein. I want to calculate the
generalized order parameters S2 for N-H. It was said that to calculate
S2, the overall motion should be subtracted first. How can I subtract
the overall motion? Can I use the command 'trjconv' to fit the protein
to
Dechang Li wrote:
Dear all,
I have run a 100ns simulation of protein. I want to calculate the
generalized order parameters S2 for N-H. It was said that to calculate
S2, the overall motion should be subtracted first. How can I subtract
the overall motion? Can I use the command 'trjconv'
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