[gmx-users] assigning two ligand in gromacs with amber99sb force filed

[Justin Lemkul]

On 8/3/15 8:50 AM, SAKO MIRZAIE wrote:
> Dear all,
>
> I just trying to add two itp files including  "NADP.itp" and
> "ligand.itp" in my topology file by add #include "NADP.itp"
> #include "ligand.itp" after force filed amber99sb. but the following
> error appears:
>
>
> ' [ atomtypes ]'
> invalid order for directive atomtypes
> .
> .
> .
> when I delete the #include "ligand.itp" from topology file. it works
> without any error. how can I assign two groups with simple command
> "#include" in topology file.
>

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

-Justin

-- 
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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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