On 5/25/16 1:44 AM, jagannath mondal wrote:
Hi
I am also interested in the issue of using a flat-bottomed restraint,
for a spherocylinder.
However, I am not sure whether the current gromacs settings of even a
linear combination of a sphere and cylinder can help here to generate a
spherocyli
> Lemkul
> Sent: 24 May 2016 12:33:54
> To: gmx-us...@gromacs.org
> Subject: Re: [gmx-users] Combining various Flat-bottomed Potentials
>
> On 5/24/16 12:30 PM, Christopher Neale wrote:
> > I doubt it. The flat-bottom potential in the pull-code is not really the
> stand
half of Justin
> Lemkul
> Sent: 24 May 2016 12:33:54
> To: gmx-us...@gromacs.org
> Subject: Re: [gmx-users] Combining various Flat-bottomed Potentials
>
> On 5/24/16 12:30 PM, Christopher Neale wrote:
> > I doubt it. The flat-bottom potential in the pull-code is not really the
-users-boun...@maillist.sys.kth.se
on behalf of Justin Lemkul
Sent: 24 May 2016 12:33:54
To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] Combining various Flat-bottomed Potentials
On 5/24/16 12:30 PM, Christopher Neale wrote:
> I doubt it. The flat-bottom potential in the pull-code is not rea
o it yet. That would be a much
more useful effort :)
-Justin
Obviously test it also prior to production.
Chris.
From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se
on behalf of Srajan Jain
Sent: 24 May 2016 05:13:17
To: gromacs.org_gmx-users@maillist
.kth.se
on behalf of Srajan Jain
Sent: 24 May 2016 05:13:17
To: gromacs.org_gmx-users@maillist.sys.kth.se
Subject: [gmx-users] Combining various Flat-bottomed Potentials
Dear Gromacs users,
I want to impose a sphero-cylinderical position restraint, using
flat-bottomed potentials, for a simulat
Dear Gromacs users,
I want to impose a sphero-cylinderical position restraint, using
flat-bottomed potentials, for a simulation.
The manual mentions that we can combine the existing three flat-bottomed
potentials, like a cylinder with two layers to get a disk.
So, can this feature be used to gen
