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

[R.S.K.Vijayan]

Hi Ansuman,

That is optional.


Regards,
Vijayan.R

On Tue, Sep 9, 2014 at 4:38 PM, Ansuman Biswas <
ansuman at physics.iisc.ernet.in> wrote:

> Hi,
>   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,
> regards,
> ansuman
>
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