: Wednesday, November 14, 2012 2:18 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] Temperature Histogram
On 11/14/12 7:10 AM, Samadashvili Nino wrote:
> Dear Justin,
>
> I have been looking for some option to calculate the average temperature,
> locally in my system. I
[gmx-users-boun...@gromacs.org] on behalf
of Justin Lemkul [jalem...@vt.edu]
Sent: Friday, November 02, 2012 5:04 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] Pull code, Velocity distribution
On 11/2/12 10:52 AM, Samadashvili Nino wrote:
> Hello,
>
> I have
: Wednesday, November 07, 2012 7:16 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] Temperature Histogram
On 11/7/12 11:42 AM, Samadashvili Nino wrote:
> Hello,
>
>I would like to calculate temperature in my system along the axis. Could
> you please tell me if there
Hello,
I would like to calculate temperature in my system along the axis. Could you
please tell me if there is a way to make a temperature histogram with Gromacs?
Thank you for your attention.
Cheers,
Nino--
gmx-users mailing listgmx-users@gromacs.org
http://lists.gromacs.org/mailman/lis
[jalem...@vt.edu]
Sent: Friday, November 02, 2012 5:04 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] Pull code, Velocity distribution
On 11/2/12 10:52 AM, Samadashvili Nino wrote:
> Hello,
>
> I have been using the pull code for friction calculations. I am not
Hello,
I have been using the pull code for friction calculations. I am not
doing umbrella sampling but just pulling one slab of crystal on top of another
with the constant velocity. I would like to know how Gromacs is calculating
the pulling force (pullf.xvg) during sliding. Is the pul
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