sudheer.pbm07 at gmail.com
Mon Sep 22 19:28:41 CEST 2008
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.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users