[gmx-users] continuerun

gold gunaseelan gold_smith at rediffmail.com
Thu Mar 25 14:24:01 CET 2004

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I have completed simulation for 1ns.i want to continue further as a continued run from the previous step.i used tpbconv to create cont.tpr
tpbconv -s intial.tpr -f intial.trr -o cont.tpr ,it says at the end Read frame   2001: step 500000 time 1000.000

Using frame of step 500000 time 1000

WARNING: The simulation uses pressure and/or temperature coupling,
         the continuation will only be exact when an energy file is supplied

0 steps (0 ps) remaining from first run.
You've simulated long enough. Not writing tpr file.
what does this mean?.when i gave the energy file and ran again it said

Using frame of step 500000 time 1000
Opened intial.edr as single precision energy file
Reading frame   5000 time 1000.000           
Fatal error: Could not find energy term named 'Pcoupl-Mu-XX'
Can anyone say what should i do?
thanks in advance -smith 

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