[gmx-users] adding dihedral terms

[David]

On Mon, 2004-11-15 at 13:28 -0500, David L. Bostick wrote:
> 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?

I think you can do it. Please test by reading a tpr file with gmxdump.
> 
> thanks,
> David
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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