[gmx-users] gromacs-4.0 error in grompp

Claus Valka lastexile7gr at yahoo.de
Fri Oct 17 17:35:50 CEST 2008


While I'm trying to use the grompp command I get this error :

Program grompp, VERSION 4.0
Source code file: topio.c, line: 415

Fatal error:
Syntax error - File topol.top, line 4
Last line read:
' [ system ]'
Invalid order for directive system

I do not get this error in version 3.3.3 or 3.3.2 though. Any thought?

Thank you, 

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