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, Steven
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