[gmx-users] troubles with grompp
lbraeuer at ipb-halle.de
Thu Jun 19 15:31:02 CEST 2003
since a long time I try to simulate membranes and protein-membrane-systems
Fortunately I was successful simulating proteins inside a water-box.
So you can see, I understand the program-routines himself.
Unfortunately the simulation of a membrane and of cause a
membrane-system with protein doesn't work. I got many errors and warnings,
but with many performance I were able to solve most of this warning.
But there is still one fatal error left.
Executing grompp using the right syntax this message appears:
Fatal error: Found a second defaults directive, file
"/soft/gromacs/share/top/ffgmx.itp", line 7
Is there anybody out there, who can help me.
Thank you all in advance.
Yours L. Braeuer
PS: All files and params are in the correct folders.
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