Dear Gromacs users,<br><br> I am using tabulated potentials for the dihedrals of my system, the dihedral function I am using is Summn over 'n' 0.5*K [ ( Cos n(phi-phi0)] , Here 1<= n <= 3 .<br>
The C-O-C-C dihedral of my system has three folds those are n= 1 , 2, 3 and three different K ( force constant ) values one for each "n" value.<br>Here my doubt is while specifying the "k" value in the "ffbonded.itp" , Which K value do I have to take ? or can i take sum of all these "k" values and mention that value in ffbonded.itp ?<br>
<br>Please help me in this regard,<br><br>Thank you in advance,<br><br>Regards,<br>Ramesh cheerla.<br>