[gmx-users] Extend Umbrella Windows

Steven Neumann s.neumann08 at gmail.com
Mon May 28 11:45:08 CEST 2012

Dear Justin and Gmx users,

I want to extend my simulation in each window of 20 ns. For this purpose I
should use (example - window 0):

tpbconv -s umbrella0.tpr -extend 20000 -o umbrella0extend.tpr
mdrun -s umbrella0extend.tpr -cpi umbrella0.cpt -deffnm umbrella0 -pf
pullf0.xvg -px pullx0.xvg

My questions:
1. Do I have to use -deffnm , -px, -pf or without this my files will be
updated to the one produced before?
2. Will the umbrella0extend.tpr shall be used for a g_wham or my previous
umbrella0.tpr combined with umbrella0extend.tpr? How to combine them?

Thank you,

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