[gmx-users] dummy atom vdw interactions

[leafyoung81-group at yahoo.com]

Hi, David

>From the dump file, I could only find that

   functype[0]=LJ_SR, c6= 1.24394384e-04, c12=
1.14147088e-05
   ...

What other information can be referred to determine LJ
interaction between exactly two atoms?

Yang Ye

--- David van der Spoel <spoel at xray.bmc.uu.se> wrote:

> On Tue, 2005-08-02 at 11:39 +0800, Mu Yuguang (Dr)
> wrote:
> > Dear gromacs users,
> > We find that the dummy atoms do not have vdw
> interaction with other
> > atoms, even though we assign vdw parameters to the
> dummy atom type.
> > Is it a normal setting up in gromacs?
> No, did you run gmxdump to check your tpr file?
> 
> > Yuguang
> > _______________________________________________
> > gmx-users mailing list
> > gmx-users at gromacs.org
> > http://www.gromacs.org/mailman/listinfo/gmx-users
> > Please don't post (un)subscribe requests to the
> list. Use the 
> > www interface or send it to
> gmx-users-request at gromacs.org.
> -- 
> 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
>
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
> 
> 
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the
> list. Use the 
> www interface or send it to
> gmx-users-request at gromacs.org.
>