[gmx-users] pairs generation

[David]

On Thu, 2004-05-20 at 11:21, Ghermes Chilov wrote:
> Hi!
> 
> Can I turn off generation of [ pairs ] by pdb2gmx? (OPLS topology
> with RB-dihedrals must not have this section, wright?!)
Yes, OPLS does need the (scaled) interactions.

The original RB dihedrals don't need pairs but these are only for alkane
chains.

> 
> Ghermes Chilov
> Moscow State University
> 
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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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