[gmx-users] Genpairs

David van der Spoel spoel at xray.bmc.uu.se
Tue Apr 26 11:27:23 CEST 2005

On Tue, 2005-04-26 at 10:41 +0200, Hector Mtz-Seara wrote:
> Dear all,
> Maybe is a easy question  but I'm really confused.  Genpair  is  only 
> for  the 1-4  interactions  or for  all  vanderwalls  interacions  not  
> defined.  I'm using Gromcacs force field in convination with lipid.itp. 
> And in the defaults genpairs is set to no( ffgmx.itp) that is the 
> correct one or its easier to set it to yes.
gen pairs is for the generation of parameters, not interactions. In
GROMOS force fields the pair parameters are explicitly listed in the
ff***nb.itp file. For OPLS force fields they are generated.
> Thanks in advance
> Hector
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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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