ANNEAL

[PinkFoxK]

It became necessary to carry out annealing of a system (99628 atoms the amoebabio18 force field) in order to find the conformation of a certain region of the protein. The Tinker has an annealing program written in Fortran under the CPU. However, the performance of this algorithm is difficult to verify, since it will take a huge amount of time for one iteration. Is it possible to perform an annealing or other operation to find the conformation of a protein with an amoebabio18 force field using a GPU-based Tinker9 or Tinker-HP?

Thanks in advance for your response and your time!