[gmx-users] Problem with restraint in lipid membrane

Francesco Tordini tordini at tiscalinet.it
Sun Jan 19 15:59:17 CET 2003

Hi gmx users,
i'm tryng to do some energy minimization with position restrain on all
heavy atoms in every dppc and dppe residue in my membrane system (an
edited version of dppc64.pdb with mixed dppc/dppe residues).
When i launch grompp, i get the following error: 

Fatal error: [ file "posre.itp", line 54 ]:
             Atom index (51) in position_restraints out of bounds (1-50)

I've searched the Mailing list, and also read the WARNING (genpr only
works for the first molecule... ") in genpr's man pages, but, despite 
my many attempts, i'm not still able to resolve the problem.
In fact, i don't understand how to manage the file (or many files?) 
posre.itp in a system like this.




Francesco Tordini
Laboratorio di Modellistica Molecolare
Università degli studi di Milano Bicocca
20126 Milano - Italy

 <tordini at tiscalinet.it>


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