[gmx-users] POSITION-RESTRAIN

[Morteza Khabiri]

Dear gmxusers.

I want to restrain the lipids in my system which contains protein,lipid
and water. I make the restraint itp file by genpr then I added it in
toplogy file.
After doing grompp to make tpr file I get the following message:

Fatal error:
[ file "posre_entirelipid1.itp", line 56 ]:
             Atom index (53) in position_restraints out of bounds (1-52)
I found the similar error in the mailing list and they suggested probably
the place of restraint itp file which was included in  topology file is
wrong.  However, I tried several positions for restraint itp but I think
it is not the
solution. Do you have any other suggestion about this problem??????

Thanks