Dear All,
I want to apply constraint (ibelly=1) on particular part of protein during MD Simulation. My target protein total residues are 1-534, co-factor and ligand atoms 535-538, counter ions 539-550 and water molecules (TIP3P box) 551-19480. I want to freeze 268-532 residues. I am confused, how can I assign (moving residues) mask in bellymask option for this system? I just want to freeze 268-532 while rest of the system free to move.
Thank you.
Best Regards, Saman Yousuf Ali
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Received on Mon Aug 15 2016 - 19:30:02 PDT
