[gmx-users] nvt equilibration; error

marzieh dehghan dehghanmarzieh at gmail.com
Fri Jun 5 05:15:57 CEST 2015


Hi
Dear Justin

thanks a lot for your kind answer

after creating a topology file using topolbuild, all parameters such as
information about bond, angle, . . . were completed based on ffbond.itp.
then I used topol file to held energy minimization by gromacs and after
holding NVT command, I confronted to the mentioned error

"Group Protein not found in index file"


I would like to know, this method is correct?

thank you

best wishes

-- 




*Marzieh DehghanPhD Candidate of BiochemistryInstitute of biochemistry and
Biophysics (IBB)University of Tehran, Tehran- Iran.*


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