Hi, all,<br><br>According to Manual v3.3, "It's possible to apply multiple bonded interactions of the same type on the same atoms" [12th line of Page 98].<br>If a dihedral potential for 4 neighboring atoms is defined 3 times using the "periodic type" in the topology file, like<br>
V=k1*(1+cos(phi-phi_s1))<br>V=k2*(1+cos(2*phi-phi_s2))<br>V=k3*(1+cos(3*phi-phi_s3))<br>would GROMACS recognize the dihedral potential as the sum of the above three, or just the 3rd one (which is defined last)?<br>If GROMACS recognizes the dihedral potential as the sum, then this can be another way to define OPLS force filed in GROMACS.<br>
Does anyone know the answer? Thanks.<br><br>Best,<br>Yanbin<br>