[gmx-users] dmso/peptide simulation

Justin A. Lemkul jalemkul at vt.edu
Tue Aug 19 11:53:54 CEST 2008

prasun kumar wrote:
> I have already included the dmso.itp file.still I am getting the error
> atom type SD not found
> thanx in advance for helping me

I don't know why (grompp?) is looking for atom type SD, when the atom *type* is 
SDmso, but the atom *name* is SD.  Are you sure you have made no modifications 
to the .itp file?  Can you show us the .itp file and .top you are using?

Otherwise we are left to guess that something entirely unexplainable is going on.


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


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