[gmx-users] Silly question?

[Justin A. Lemkul]

Sergio Manzetti wrote:
> 
> 
> 
> I am trying to grompp a molecule, but get the same error again:
> 
> Program grompp, VERSION 4.5.1
> Source code file: topio.c, line: 654
> 
> Fatal error:
> Syntax error - File bzp.itp, line 1
> Last line read:
> '[ moleculetype ]'
> Invalid order for directive moleculetype
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
> 
> 
> Can any help?
> 

Something in your topology is out of order.  See Chapter 5 of the manual for the 
proper order.  Either you've #included one moleculetype inside another, or 
you've done it before the force field has defined.  Either way, if you want 
further assistance, you'll have to post some relevant snapshots of your topology.

-Justin

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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