[gmx-users] use of " -t nvt.cpt" option in NPT equilibration

Ansuman Biswas ansuman at physics.iisc.ernet.in
Tue Sep 9 23:05:35 CEST 2014

  Can someone please explain if it is necessary to use the -t flag during
NPT equilibration?

The following command is mentioned in the lysozyme tutorial:
$ grompp -f npt.mdp -c nvt.gro -t nvt.cpt -p topol.top -o npt.tpr

whereas , I have found the command without the -t flag in another tutorial:
grompp -v -f npt.mdp -c protein-NVT.gro -p protein.top -o protein-NPT.tpr

Thanking in advance,

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