That means I can not append to the output file md_0.xvg after rerun free
energy simulation? Has anyone experienced this problem before?
2015-05-30 20:42 GMT+02:00 Ahmet Yıldırım ahmedo...@gmail.com:
Dear users,
When I restart one of lambda points for free energy calculation, Gromacs
gives the following error. Whereas the md_0.xvg file exists in the folder.
I hope the md_0.xvg can append?
Command:
mdrun -v -s md_0.tpr -cpi md_0.cpt -cpo md_0-1.cpt -dhdl md_0.xvg -x
md_0.xtc -e md_0.edr -g md_0.log -append
Fatal error:
Checksum wrong for 'md_0.xvg'. The file has been replaced or its contents
have been modified. Cannot do appending because of this condition.
--
Ahmet Yıldırım
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Ahmet Yıldırım
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