[gmx-users] Error in itp file

[Justin Lemkul]

On 8/2/17 12:35 PM, Souvik Dey wrote:
> Hi,
> 
> I just generated an itp file from ACPYPE. However, if I try to add ions it
> shows the following error:
> 
> Fatal error:
> Syntax error - File FAD.itp, line 3
> Last line read:
> '[ atomtypes ]'
> Invalid order for directive atomtypes
> 
> 
> Can somebody say how do I fix this?
> 

This exact situation is described here:

http://www.gromacs.org/Documentation/Errors#Invalid_order_for_directive_xxx

-Justin

-- 
==================================================

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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