[gmx-users] field-specified name for sulfate

Justin A. Lemkul jalemkul at vt.edu
Wed Jun 9 16:22:02 CEST 2010

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:



> regards,
> Shiva


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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