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
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
