[gmx-users] Problem about tpbconv
sudheer babu
sudheer.pbm07 at gmail.com
Fri Mar 21 06:50:32 CET 2008
Hi all,
I am runnning system with 1ns NVT production step without velocities in
md.mdp file, inbetween the simulation was crashed because power problem and
I want continue the run from where it was stopped by using *tpbconv but it
shown warning, fatal error and finally stopped without generating out.tprfile
I used tpbconv commnad in this way
"tpbconv -s dt.tpr -n index.nx -f dt.trr -e dt.edr -o out.tpr"
WARNING: Incomplete frame: nr 3204 time 640.600
-------------------------------------------------------
Program tpbconv, VERSION 3.3.1
Source code file: enxio.c, line: 401
Fatal error:
Could not find frame with time 641.000000 in '1ns_nvtH.edr'
-------------------------------------------------------
Could you tell me the suggestion
Thanks in advance
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20080321/3b85061b/attachment.html>
More information about the gromacs.org_gmx-users
mailing list