[gmx-users] grompp error

Rongliang Wu wurl04 at iccas.ac.cn
Sun Apr 9 05:33:39 CEST 2006

Hello, gmx-users,
	i finished compiling the gromacs-3.3.1 but when i run genbox it said aminoacids.dat not found. then i set the GMXLIB environmental variable to find the top folder. 
	but when i used the grompp command it said:

ao7.top:11:24: ffoplsaa.itp: No such file or directory
ao7.top:648:19: spc.itp: No such file or directory
ao7.top:658:20: ions.itp: No such file or directory
cpp exit code: 256
Tried to execute: '/usr/bin/cpp  -I/export/home/wurl/software/gromacs/share/gromacs/top:  ao7.top > gromppDx0yaF'
The '/usr/bin/cpp' command is defined in the .mdp file
processing topology...
Cleaning up temporary file gromppDx0yaF
Program grompp, VERSION 3.3.1
Source code file: topio.c, line: 388

Fatal error:
Invalid order for directive moleculetype, file ""ao7.top"", line 13

it is clear that the program still cannot find the itp files in the top folder?
why? is there anyother environmental variables that i didnot set ?



        Rongliang Wu
        wurl04 at iccas.ac.cn

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