[gmx-users] .top error question

[Ramachandra Rao Gullapalli]

Dear all,
Hi i have been trying to grompp on the cluster with the following .top file

#include "/usr/global/gromacs/share/top/ffgmx.itp"
#include "/home6/rrg142/gromacs/tieleman-downloads/lipid.itp"
#include "/home6/rrg142/gromacs/tieleman-downloads/dppc.itp"

[ system ]
; name
dppc64 lipid in water

[ molecules ]
; name	number
DPPC    64
SOL     3846

And when i run the grompp command, i get an error saying,
Back Off! I just backed up mdout.mdp to ./#mdout.mdp.1#
checking input for internal consistency...
calling /lib/cpp...
processing topology...
Cleaning up temporary file grompp1L1enX
Fatal error: Found a second defaults directive, file
"/home6/rrg142/gromacs/tieleman-downloads/lipid.itp", line 9


I have included the location /home6/rrg142/gromacs/tieleman-downloads in my
.bashrc file and yet i am getting this error. What am i missing? I d appreciate
your advice as im a newbie to both linux and gromacs.

Is it necessary to include lipid.itp files in the same location as ffgmx.itp?

Thanks for your time and patience.
Regards
Rama






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