[gmx-users] tpbconv*

[Justin A. Lemkul]

sudheer babu wrote:
> Hi users,
> I am running membrane protein simulation in between system crashed due 
> to power fluctuations, I am trying to extend this run by using tpbconv 
> command
> tpbconv -f 1ns.trr -e 1ns.edr -s 1ns.tpr -o new1ns.tpr
> it showed that
> 
> Reading toplogy and shit from 1ns_2timeTh6_9inpopc.tpr
> Reading file 1ns_2timeTh6_9inpopc.tpr, VERSION 3.3.1 (single precision)
> Modifying ir->bUncStart to TRUE
> 
> READING COORDS, VELS AND BOX FROM TRAJECTORY 1ns.trr...
> 
> trn version: GMX_trn_file (single precision)
> Read frame  10001: step 500000 time 1000.000
> 
> Using frame of step 500000 time 1000
> Opened 1ns_2timeTh6_9inpopc.edr as single precision energy file
> Reading frame  50000 time 1000.000          
> 
> READ 3 PRESSURE COUPLING MU'S FROM 1ns.edr
> 
> 0 steps (0 ps) remaining from first run.
> You've simulated long enough. Not writing tpr file
> 
> gcq#71: "I Want to Know Right Now" (Meatloaf)
> 
> Can anyone tell why its not writing new.tpr file
> any suggestion would be appreciated
> Thanks in advance.

The output message from tpbconv is pretty clear.  Frames at 1000 ps exist in 
both the .trr and .edr (also shown in the output), so it looks like your run 
actually did finish.

-Justin

> 
> 
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-- 
========================================

Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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