[gmx-users] field-specified name for sulfate

[Justin A. Lemkul]

shiva birgani wrote:
> Hi All
> 
> I am trying to add sodium sulfate to the system but I receive this fetal 
> error
> 
> 
>     Fatal error: No such moleculetype SO4
> 
> Could anybody tell me what is the force field-specified name of sulfate 
> ion in OPLS-AA/L all-atom force field?
> 

Rather than implicating nomenclature as the problem, most likely your topology 
itself is to blame:

http://www.gromacs.org/Documentation/Errors#Fatal_error.3a_No_such_moleculetype_XXX

-Justin

> regards,
> 
> Shiva
> 

-- 
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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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