priya thiyagarajan wrote:
hello sir,
Thanks for your kind reply..
i tried like what you suggest..
i used the command
mdrun -s md60.tpr -cpi state.cpt -o md60.trr -x traj.xtc -e md60.edr -c
md60.gro -g md60.log
to extend my simulation..
but again i got error as follows
Reading file md60.tpr, VERSION 4.5.5 (single precision)
Starting 8 threads
Reading checkpoint file state.cpt generated: Fri Feb 17 19:46:58 2012
-------------------------------------------------------
Program mdrun, VERSION 4.5.5
Source code file: checkpoint.c, line: 1757
Fatal error:
Failed to lock: md60.log. Function not implemented.
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------
please help me with your answer...
i dono how to resolve this problem..
Use -noappend and just concatenate your output later. Something in the
filesystem thinks your .log file is still in use.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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