[gmx-users] Checksum wrong

Ahmet Yıldırım ahmedo047 at gmail.com
Sun May 31 16:22:18 CEST 2015

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 <ahmedo047 at 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

Ahmet Yıldırım

More information about the gromacs.org_gmx-users mailing list