[gmx-users] no such moleculetype

Justin Lemkul jalemkul at vt.edu
Tue Apr 30 12:04:32 CEST 2013

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On 4/30/13 3:37 AM, Arunima Shilpi wrote:
> hello sir
> there was error in running grompp file of umbrella sampling... the error it
> says
> "no such molecule type sol" found.......
> how to debug the error

You'll need to provide more information, especially regarding any topology 
modifications you have made.  The error indicates it does not know about a 
certain [moleculetype], which means you have constructed or edited the topology 



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


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