Re: [gmx-users] Atom ordering for RB dihedrals in OPLS-AA

On 9/6/13 2:11 PM, prateekj wrote: Hi, I am trying to build itp file for polymer simulations using OPLS-AA and had two questions I could not find a clear answer from the forum or the manual. 1. Is the order of bond types listed in a row of the [dihedral] section important, i.e. if I replace i

[gmx-users] Atom ordering for RB dihedrals in OPLS-AA

Hi, I am trying to build itp file for polymer simulations using OPLS-AA and had two questions I could not find a clear answer from the forum or the manual. 1. Is the order of bond types listed in a row of the [dihedral] section important, i.e. if I replace ijkl by lkji, will this make any differe