[gmx-users] Warning: LJ-14..

Henrik Rundgren henrik at physc.su.se
Mon Nov 24 12:30:02 CET 2003

I have looked into the topolpgy file to see what is wrong at the 
specified lines.. and I can't understand why it would want to "use/read" 
these lines in the topology file... Since they aren't used later on....
(I used your spc216 file for water though. but that one seems ok when 
looking at it...)

 From top.top following can be read...

 [ nonbond_params ]
line   ; i j func c6 c12
86     O NL 1 0.23473E-02 0.34518E-05
87     O NR5* 1 0.23473E-02 0.20711E-05
88     O ZN 1 0.00000E+00 0.10931E-06
109   OM NR6* 1 0.23473E-02 0.33890E-05
110   OM SI 1 0.57734E-02 0.86722E-05
111   OM NA 1 0.40370E-03 0.44478E-06

thanks for input.

Henrik Rundgren
Division of Physical Chemistry
Arrhenius Laboratory
Stockholm University
S-106 91 Stockholm

E-mail:    Henrik at physc.su.se
Telephone: +46-(0)8-16 12 63
Fax:       +46-(0)8-15 21 87
Website:   www.fos.su.se/~henrik

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