[gmx-users] Problem about tpbconv

Mark Abraham mark.abraham at anu.edu.au
Fri Mar 21 08:18:05 CET 2008

> Hi all,
> I am runnning system with 1ns NVT production step without velocities in
> md.mdp file, inbetween the simulation was crashed because power problem
> and
> I want continue the run from where it was stopped by using *tpbconv but it
> shown warning, fatal error and finally stopped without generating
> out.tprfile
> I used tpbconv commnad in this way
> "tpbconv -s dt.tpr  -n index.nx -f dt.trr  -e dt.edr -o out.tpr"
> WARNING: Incomplete frame: nr   3204 time  640.600
> -------------------------------------------------------
> Program tpbconv, VERSION 3.3.1
> Source code file: enxio.c, line: 401
> Fatal error:
> Could not find frame with time 641.000000 in '1ns_nvtH.edr'
> -------------------------------------------------------

Check out the first paragraph in the tpbconv man page, and search the wiki
for tpbconv. I linked the relevant page to a post in this list a few days


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