[gmx-users] Restarting after NVT: continuation error

[VANDANA KUMARI]

Hello Gromacs Users,

I am trying to make tpr file for NPT equilibration after NVT equilibration using

grompp -f npt.mdp -c nvt.gro -t nvt.trr -p topol.top -n index.ndx -o npt.tpr

I am using  parameter " continuation = yes " in npt.mdp  for restarting after NVT, but I am getting this warning massage:

 WARNING 1 [file npt.mdp, line unknown]:
  Unknown left-hand 'continuation' in parameter file

Please help me with this issue.

Thank you
--
Vandana






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