[gmx-users] request

Mark Abraham Mark.Abraham at anu.edu.au
Mon Dec 4 23:40:25 CET 2006

hadi behzadi wrote:
> Program grompp, VERSION 3.3
> Source code file: topio.c, line: 385
> Fatal error:
> Invalid order for directive moleculetype, file ""1.top"", line 17
> The line 17 is [ moleculetype ].

As it says, this directive is out of order. You have to #include some 
forcefield files first, which have some directives that must precede 
this one. See chapter 5.


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