[gmx-users] reg:merging of files

rams rams rams.crux at gmail.com
Mon Sep 1 22:18:23 CEST 2008

Dear users,

I have a general question regarding the merging of files:

1. If suppose I am rerunning a job, the new tpr file is created in the
following way:

tpbconv -s .tpr1 -f .trr1 -o .tpr2

Here, no confusion. The run with new tpr2 would give me .trr2 file.

Now if I want to rerun again,

tpbconv -s tpr2 -f trr2 -o tpr3.

In case, if I merge trr1 and trr2 to trr_total, and want to use the merged
file to rerun, which tpr I shoud use for creating a new tpr file ?

tpbconv -s ???? -f trr_total  -o tpr3

Also, for analysis, do we need to merge all the tpr files or only the
starting tpr file is enough ? What information exactly the tpr file holds ?
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