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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