[gmx-users] which tpr?

Terry Nelson terry.b.nelson at gmail.com
Mon Jul 2 22:12:07 CEST 2007

Hello all,

Because of the limitations in run time, my simulations have broken into
three parts: one.trr, two.trr, and three.trr. Each run has its corresponding
tpr file. The original tpr file (minimization step) was start.tpr. Now using
trjconv for three.trr which tpr file I need to type after -s option?

trjconv -f three.trr -s start.tpr ....

I am aware that the topology (information in the starting top file) will
remain intact during simulation. I am wondering whether commands like
trjconv read anything more than topology information  (MD parameters, etc)
from the -s option? In other words, in the above example replacing
three.tpr will not change the outcome?

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