hello sir, i was performing simulation for 30ns. due to queue time limit my mdrun stopped at 11.6ns.. then i extended my simulation using these two commands
*tpbconv -s md.tpr -extend 20000 -o newmd.tpr mdrun -s newmd.tpr -o md.trr -c md.gro -e md.edr -g md.log -cpi state.cpt -x traj.xtc -append * when i submit my mdrun i got error as Output file appending has been requested, but some output files listed in the checkpoint file state.cpt are not present or are named differently by the current program: output files present: md.log md.trr md.edr output files not present or named differently: traj.xtc ------------------------------------------------------- Program mdrun, VERSION 4.5.5 Source code file: checkpoint.c, line: 2146 Fatal error: File appending requested, but only 3 of the 4 output files are present For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors but i had traj.xtc file in my folder.. then again i checked my folder and again submitted my job.. this time i got different error.. i dono why i am getting like this... i got error as Reading file newmd.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: md.log. Function not implemented. For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors same command i used but i got different errors each time.. can anyone please help me with your answer.. i searched in users list.. but i didnt get the point.. please help with your answer. thanking you,
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