[gmx-users] tpbconv and tpr file problem...

Anthony Cruz Balberdi anthony.cruz5 at upr.edu
Wed Mar 14 19:33:14 CET 2012

Hi Users:

I was trying to calculate the energy contribution of an specific ion in my
simulation. After extract a given frame from the simulation, I recalculate
the energies of this frame with mdrun -rerun. Then I used tpbconv and
editconf to create a new gro file and a new tpr without the ion. I tried to
run mdrun -rerun with this new files but the mdrun stops with the following

Program mdrun, VERSION 4.5.5
Source code file: domdec_top.c, line: 744

Software inconsistency error:
Not enough position restraint coordinates

What could be the problem?
Any possible solution?
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