This package runs collective molecular dynamics simulations, where collective motions from anisotropic network model normal mode analysis drive all-atom dynamics through targeted molecular dynamics simulations and energy minimization
This is a suggested fix from NAMD for dealing with having too many atoms per memory grid block. I tested it on a glutamate receptor ion channel system (close to 1 million atoms) and it worked with this addition but not without it.
This is a suggested fix from NAMD for dealing with having too many atoms per memory grid block. I tested it on a glutamate receptor ion channel system (close to 1 million atoms) and it worked with this addition but not without it.