[gmx-users] tpbconv*

[Jochen Hub]

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

  ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
Use -until or -extend (in latest gromacs) if you want to simulate longer.

best, Jochen



> 
> 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.
> 
> 
> 
> ------------------------------------------------------------------------
> 
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php


-- 
************************************************
Dr. Jochen Hub
Max Planck Institute for Biophysical Chemistry
Computational biomolecular dynamics group
Am Fassberg 11
D-37077 Goettingen, Germany
Email: jhub[at]gwdg.de
Tel.: +49 (0)551 201-2312
************************************************