Dear Ambers,
I have a general question about MD simulation. Is it possible to observe
secondary structure formation (e.g. helix) from a loop during the MD
simulation? I am running a simulation on protein-ligand complex. I found
out a extra short helix formed in our average structure after 500 ps GBSA
simulation.
Thank you very much!
aini
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Received on Tue Feb 03 2004 - 23:53:00 PST
