Dear sir I want to apply harmonic restraint to the entire structure by 2.4 kcal/mol/A and will perform energy minimization by steepest descent method followed by 100 ps simulation for DNA-drug complex.I need to reduce the harmonic restaint slowly to zero by decreasing the force constant value. But I don't know where to decrease the force constant value. Where i will reduce the value in .mdp file? How can I apply harmonic restraint in whole structure?
-- With regards, Devawati Dutta, MSc,MTech(Bioinformatics), Project Assistant Level-III Infectious Diseases and Immunology Division Indian Institute of Chemical Biology (A Unit of CSIR) Kolkata-32.
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