[gmx-users] Continuing umbrella sampling after crash

Alexander Law alexander.law at pg.canterbury.ac.nz
Tue Jan 13 00:40:02 CET 2015

Dear Gromacs Users

I have been running umbrella sampling, during Step Six: Umbrella Sampling Simulations, using the code:

mdrun -deffnm umbrella0 -pf pullf-umbrella0.xvg -px pullx-umbrella0.xvg

my simulation crashed and I wish to continue it using the -cpi umbrella0.cpt method but 2 .cpt files have been made, which one do I use? They are:

umbrella0.cpt and umbrella0_prev.cpt


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