[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?
thanks,
David
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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
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