[gmx-users] Re: gmx-users Digest, Vol 94, Issue 159

priya thiyagarajan priya.thiyagarajan09 at gmail.com
Mon Feb 27 06:14:39 CET 2012

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..

Thanking you,
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