Alessandro Mattozzi wrote:
While running a MD of PE with position restrain, i get this error message
Fatal error: [ file "posre.itp", line 6 ]:
Atom index (101) in position_restraints out of bounds (1-12)
My atom index goes up to 6000, why do I have to be in the 1-12 range?
your molecule only has 12 atoms and by the way, the error message is
from grompp.
Regards
Alessandro Mattozzi
M.Phil., Ph.D. student
Dept. of Fibre and Polymer Technology
Royal Institute of Technology
Stockholm, Sweden
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David.
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David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
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