[gmx-users] OPLS Implimentation in GROMACS

[David van der Spoel]

On Fri, 2005-06-17 at 14:33 +1000, Dallas B. Warren wrote:
> May be to put this a different way then ....
> 
> Are there problems with using a R-B dihedral to define an improper
> dihedral?

It's different. RB is periodic whereas impropers are not.

> 
> Catch ya,
> 
> Dr. Dallas Warren
> Lecturer
> Department of Pharmaceutical Biology and Pharmacology
> Victorian College of Pharmacy, Monash University
> 381 Royal Parade, Parkville VIC 3010
> dallas.warren at vcp.monash.edu.au
> +61 3 9903 9073
> ---------------------------------
> When the only tool you own is a hammer, every problem begins to resemble
> a nail.
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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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