[gmx-users] trjcat -settime option
feenstra at few.vu.nl
Wed Apr 19 18:03:31 CEST 2006
m-hatake at jaist.ac.jp wrote:
> We usually, I think, continue the simulation as
> changing confout.gro to conf.gro, using grompp to make
> a new .tpr file, and mdrun.
> As a result, we have two .trr files.
> In this case, when we concatinate two .trr files,
> using trjcat command with -settime, we should select "c(continue)",
> On the other hand,
> Due to some computer failure, we usually use tpbconv command in order to
> continue the simulation as Yang and David said.
> In this case, after the simulation, when we concatinate two .trr files,
> using trjcat command with -settime, should we select "l(last)"?
Yes, that is right.
But, as David said, also for 'normal' extension of your simulation you
would usually want to use tpbconv, with the option '-extend' or '-until'.
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