[gmx-users] Regarding mdrunfor small organic molecules

Justin A. Lemkul jalemkul at vt.edu
Fri Aug 12 22:12:48 CEST 2011

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.


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


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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