[gmx-users] grompp error

Dhananjay dhananjay.c.joshi at gmail.com
Fri Aug 31 09:09:46 CEST 2007

Hello all,

I am trying to minimise a structure having 3 chains and each of having 90
residues. While running grompp , I got following error.
Please tell me how to fix this error.

Thanking you in advance .....

creating statusfile for 1 node...
checking input for internal consistency...
calling /usr/bin/cpp...
human_resistin_A43_mut_D43.top:11:23: error: ffG43a1.itp: No such file or
human_resistin_A43_mut_D43.top:19:19: error: spc.itp: No such file or
human_resistin_A43_mut_D43.top:29:20: error: ions.itp: No such file or
cpp exit code: 256
Tried to execute: '/usr/bin/cpp
-DFLEX_SPC human_resistin_A43_mut_D43.top > grompp6I6a2P'
The '/usr/bin/cpp' command is defined in the .mdp file
processing topology...
Cleaning up temporary file grompp6I6a2P
Program grompp, VERSION 3.3.1
Source code file: topio.c, line: 388

Fatal error:
Invalid order for directive moleculetype, file
""human_resistin_A43_mut_D43_A.itp"", line 10

"Confirmed" (Star Trek)

--  Dhananjay
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