[gmx-users] Error message

Justin Lemkul jalemkul at vt.edu
Thu May 18 18:00:03 CEST 2017



On 5/18/17 11:57 AM, Pandya, Akash wrote:
> Hi all,
>
> I've been trying to figure out the error message below but I'm not getting anywhere. I have attached my relevant itp file. Please could someone tell me what is wrong with my itp file?
>

Googling the error usually turns something up...

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

For future reference, the list does not accept attachments.

-Justin

>
> Fatal error:
> Syntax error - File GLY.itp, line 7
> Last line read:
> '[ atomtypes ] '
> Invalid order for directive atomtypes
>
>
> Best regards,
>
> Akash
>
>
>

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

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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