simple NVT didn't work, the developers would have a pretty serious problem on
their hands ;)
-Justin
Best,
Juju
*From:* Jussi Lehtola
*To:* gmx-users@gromacs.org
*Sent:* Fri, August 13, 2010 3:29:56 PM
*Subject:* Re: [g
users
*Sent:* Fri, August 13, 2010 3:23:40 PM
*Subject:* Re: [gmx-users] Check V for NVT
Rama G wrote:
> Hi Gmx users,
>
> I am using 4.0.X version of Gromacs and doing a NVT simulation. Now I
wanna check if the Volume is constant after the simulation.
> I tried g_energy but di
4.0.7. nor Box-X, Y, Z.
> Any other way out?
>
> Best,
>
> Juju
>
> --
> *From:* Jussi Lehtola
> *To:* gmx-users@gromacs.org
> *Sent:* Fri, August 13, 2010 3:29:56 PM
>
> *Subject:* Re: [gmx-users] Check V for NVT
>
> On Fri, 13
Thanks guys,
Sorry, I did not find "Density" in version 4.0.7. nor Box-X, Y, Z.
Any other way out?
Best,
Juju
From: Jussi Lehtola
To: gmx-users@gromacs.org
Sent: Fri, August 13, 2010 3:29:56 PM
Subject: Re: [gmx-users] Check V for NVT
On Fri, 1
Re: [gmx-users] Check V for NVT
Rama G wrote:
> Hi Gmx users,
>
> I am using 4.0.X version of Gromacs and doing a NVT simulation. Now I wanna
>check if the Volume is constant after the simulation.
> I tried g_energy but did not find "Volume" in the pool of the options.
Jussi Lehtola wrote:
On Fri, 13 Aug 2010 18:23:40 -0400
"Justin A. Lemkul" wrote:
Rama G wrote:
Hi Gmx users,
I am using 4.0.X version of Gromacs and doing a NVT simulation. Now
I wanna check if the Volume is constant after the simulation.
I tried g_energy but did not find "Volume" in the p
On Fri, 13 Aug 2010 18:23:40 -0400
"Justin A. Lemkul" wrote:
> Rama G wrote:
> > Hi Gmx users,
> >
> > I am using 4.0.X version of Gromacs and doing a NVT simulation. Now
> > I wanna check if the Volume is constant after the simulation.
> > I tried g_energy but did not find "Volume" in the pool o
Rama G wrote:
Hi Gmx users,
I am using 4.0.X version of Gromacs and doing a NVT simulation. Now I
wanna check if the Volume is constant after the simulation.
I tried g_energy but did not find "Volume" in the pool of the options.
Can anyone help me?
Box-X, -Y, and -Z are in the .edr file.
Hi Gmx users,
I am using 4.0.X version of Gromacs and doing a NVT simulation. Now I wanna
check if the Volume is constant after the simulation.
I tried g_energy but did not find "Volume" in the pool of the options. Can
anyone help me?
Thanks,
Juju
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