[gmx-users] Regarding mdrunfor small organic molecules

[Justin A. Lemkul]

Ravi Kumar Venkatraman wrote:
> I could not find out what is wrong I tried add to add #include 
> "ions.itp" and #ifdef but it is not successful.
> 

"SOL" is water, not ions.  #include an appropriate water model.

-Justin

> Fatal error:
> No such moleculetype SOL
> 
> Please help me. I got stuck with this. Please.
> 

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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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