[gmx-users] Group protein not found in index file

Justin A. Lemkul jalemkul at vt.edu
Mon Mar 19 18:56:23 CET 2012

Please keep the discussions on the list.

Lara Bunte wrote:
> Hi Justin
> In my pr.mdp file is in the section 
> ; Temperature coupling is on
> tc-grps         = protein non-protein
> Is this the problem? What do I have to write here?

Yes, this is the problem (or at least one source of it).  As you've been told a 
few times, the names of groups specified in the .mdp file must either be a 
default group that Gromacs knows how to generate:


...or one that you create yourself in the .ndx file.



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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