I am using CHARMM optimized force field for my molecule. The article that I used for extracting force field parameters used NAMD. I am running with Lammps at the exact same condition of PVT as the article, but there is still a little deviation between 1 and 2 percent at the resulted density. I wanted to know how much deviation is accepted and shows that the simulation is the same as the article?
Hosein Geraili DaronkolaM.Sc.Graduated of physical chemistryPhysical Chemistry,Department of Chemistry,Sharif University of Technology.geraili_hosein@...7110...