Hi all! The protein that I am trying to simulate has 3 chains. My aim is to apply harmonic constraints
to certain parts of the protein and (based on FRET derived distances) I am attempting to incorporate distance constraint between certain amino acids of different chains during EM and MD. *Harmonic Constraints* I figured, that for the harmonic constraining the input is in the file "posres_D.itp" and I specify define = -DFLEXIBLE -DPOSRES in the em.mdp *Distance constraints * I would also like to have amino acids contrained, not by a fixed distance but within a range(say 45-75 angstroms). How do I go about doing this? thanks Jayant James -- Jayasundar Jayant James www.chick.com/reading/tracts/0096/0096_01.asp) Residence -24935864, cell-9841042164
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