[gmx-users] adding dihedral terms

David L. Bostick dbostick at physics.unc.edu
Mon Nov 15 19:28:47 CET 2004

Dear all,

If I list 2 or more dihedrals in a row in a molecule.itp file, will those
dihedral terms be added (i.e. superposed) in the resulting force field
after grompping and running?  I know I can convert the superposed dihedral
terms to an RB dihedral, but I just want to know ... is this what is done
when listing 2 or more dihedral terms or is the 1st dihedral term simply
overwritten by the second one listed in the molecule.itp file?


David Bostick					Office: 262 Venable Hall
Dept. of Physics and Astronomy			Phone:  (919)962-0165
Program in Molecular and Cellular Biophysics
UNC-Chapel Hill
CB #3255 Phillips Hall				dbostick at physics.unc.edu
Chapel Hill, NC 27599	           		http://www.unc.edu/~dbostick

More information about the gromacs.org_gmx-users mailing list