[gmx-users] grompp error

[Rongliang Wu]

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 ?

Regards

Thanks
 				

　　　　　　　　Rongliang Wu
　　　　　　　　wurl04 at iccas.ac.cn
　　　　　　　　　　2006-04-09