[gmx-users] Problem about tpbconv

sudheer babu sudheer.pbm07 at gmail.com
Fri Mar 21 06:50:32 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'
-------------------------------------------------------

Could you tell me the suggestion
Thanks in advance
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