[gmx-users] ligand-protein distance restraint

Mark Abraham Mark.Abraham at anu.edu.au
Tue Jan 27 09:10:26 CET 2009

Pathumwadee Intharathep wrote:
> Dear Mark,
> I put #include "disre.itp"   at the end of making a hybrid [molecule] 
> section as you've suggested, I got the same error after grompp. 

No, you didn't put it at the end of a [moleculetype] section. These must 
all start and finish before the [system] directive. See manual section 5.7

Apologies for specifying [molecule] earlier - obviously I meant 


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