Re: [gmx-users] grompp segmentation fault when trying to position restrain water along bilayer normal

2009-03-17 Thread XAvier Periole
You've probably conflicts of restrains and forces in your system. Note that our definition of the position restraints if applicable to all solvent molecules should be : [position_restraints] 1 1 0 0 1000 2 1 0 0 1000 3 1 0 0 1000 if not it will look at the atom of the solvent number 34083 ...

[gmx-users] grompp segmentation fault when trying to position restrain water along bilayer normal

2009-03-17 Thread maria goranovic
Hello I am trying to restrain water along the bilayer normal. For this; 1. I made a posre_solvent.itp using genpr. It look like this: ; position restraints for Solvent [ position_restraints ] ; i funct fcxfcyfcz 340831 0 0 1000 340841