Dear CCL USers,
I have a huge protein Under study. I would like to subject it to MOlecular Dynamics. My forcefield limits me to take only 20 A of the protein from the active site. So i had to fix the protein 10A away from the active site and perform Molecular dynamics only for the active site. I continued MD with NVT ensemble.
Do the results i get are reliable. As i am fixing the protein to some extent do i need to compensate this constraint with some thing else.
Please let me know
Thanking you,
Aparna