Recent content by jspock

Thanks Redbelly, you are right but after your comments and some more reading I found out a best answer: energy on MD simulations, depends very much on which force field you use, and the particular form they use for the dihedral term; many use periodic terms, including several terms for one...

Hi guys, I hope you can give me any idea about: After a long molecular dynamic simulation of a polymer under periodic boundary conditions, dihedral and total energies are lower than zero, (negative). do you know the physical meaning of that result? thanks for reading and for your help...