[gmx-users] Excluding 3 bonded neighbours . . .

David van der Spoel spoel at xray.bmc.uu.se
Mon Apr 25 16:04:27 CEST 2005


On Mon, 2005-04-25 at 15:18 +0200, Michal Kolinski wrote:
> Hi all.  
> Why do I get message :
> . . .   
> Generated 1173 of the 2016 non-bonded parameter combinations
> Excluding 3 bonded neighbours for PC 64
> turning H bonds into constraints...
> Excluding 3 bonded neighbours for PE 32
> turning H bonds into constraints...
> Excluding 3 bonded neighbours for PS 32
> turning H bonds into constraints...
> ….
> in my grompp output.  Is it serious or may I ignore it?
this is normal. chapter 4 in the manual.
> I’m simulating membrane made of three lipids types.
> There are no errors or warings in my grompp output.
> Please give me some comment on this and thank you in
> advance.
> Michal
> 
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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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