[gmx-users] Pressure variation in the z direction : Gromacs LS / gromacs 5

[Kevin Boyd]

Hi, 

You need to regenerate your tpr with gromac-ls. The trr format is stable between versions: you’d only need a new trajectory if you didn’t save velocities.

Kevin

> On Oct 19, 2018, at 10:37 AM, Candy Deck <candy.a.deck at gmail.com> wrote:
> 
> Dear Gromacs Users,
> 
> I am actually working with gromacs 5.
> I would like to look at the variation of the pressure in the z direction
> ...
> So I want P(z) and not P(time)
> On a previous post, somebody advised me to use Gromacs LS.
> I do not know if some of you are using it but if I try using the command
> trjconv_LS, an error is coming up :
> 
> reading tpx file (10nsPrNVT.tpr) version 103 with version 73 program
> 
> Does this mean that I have to rerun all my simulation with Gromacs 4.5 in
> order to be able to use Gromacs LS ?
> 
> Thanks ever so much for your help !
> 
> Candy
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