[gmx-users] WARNING: all CONECT records are ignored
JLenz at zbh.uni-hamburg.de
Thu Aug 24 10:21:12 CEST 2006
dear gromacs guys,
trying to do some simulations using gromacs i used pdb2gmx as the first step
of all of my work.
i use the following command and the oplsaa forcefield.
pdb2gmx -ignh -missing -ff oplsaa -f $1 -o $1.gro -p $1.top
running the pdb2gmx program there always occurs the same warning message:
Opening library file /home/jlenz/bin/gromacs/share/gromacs/top/ffoplsaa.rtp
Opening library file /home/jlenz/bin/gromacs/share/gromacs/top/aminoacids.dat
WARNING: all CONECT records are ignored
Opening library file /home/jlenz/bin/gromacs/share/gromacs/top/xlateat.dat
26 out of 26 lines of xlateat.dat converted succesfully
All occupancies are one
How can i fix this warning ? i have no idea. and i want to have this warning
fixed before i start the time consuming simulation parts.
if anyone has an idea, please be so kind and give me a yell.
otherwise i cannot go on with simulation.
thanks a lot and have a nice day.
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