On Fri, 19 Sep 2008 17:25:41 +0200
Berk Hess <[EMAIL PROTECTED]> wrote:
From: [EMAIL PROTECTED]
Subject: Re: [gmx-users] Implicit solvent & PBC
To: gmx-users@gromacs.org
Date: Fri, 19 Sep 2008 17:03:08 +0200
On Fri, 19 Sep 2008 16:49:45 +0200
Berk Hess <[EMAIL PROT
> From: [EMAIL PROTECTED]
> Subject: Re: [gmx-users] Implicit solvent & PBC
> To: gmx-users@gromacs.org
> Date: Fri, 19 Sep 2008 17:03:08 +0200
>
> On Fri, 19 Sep 2008 16:49:45 +0200
> Berk Hess <[EMAIL PROTECTED]> wrote:
> >
> >
> >
&
On Fri, 19 Sep 2008 16:49:45 +0200
Berk Hess <[EMAIL PROTECTED]> wrote:
From: [EMAIL PROTECTED]
Subject: Re: [gmx-users] Implicit solvent & PBC
To: gmx-users@gromacs.org
Date: Fri, 19 Sep 2008 16:42:15 +0200
On Fri, 19 Sep 2008 15:00:18 +0200
Berk Hess <[EMAIL PROTECTED]
> From: [EMAIL PROTECTED]
> Subject: Re: [gmx-users] Implicit solvent & PBC
> To: gmx-users@gromacs.org
> Date: Fri, 19 Sep 2008 16:42:15 +0200
>
> On Fri, 19 Sep 2008 15:00:18 +0200
> Berk Hess <[EMAIL PROTECTED]> wrote:
> > Hi,
> >
> > Th
again in implicit solvent?
I really do not see the point!
Tsjerk might have a point with crystal packing ...
Berk
From: [EMAIL PROTECTED]
Subject: Re: [gmx-users] Implicit solvent & PBC
To: gmx-users@gromacs.org
Date: Fri, 19 Sep 2008 14:52:39 +0200
On Fri, 19 Sep 2008 17:28:20
Simulation of a crystal in implicit solvent?
Tsjerk
On Fri, Sep 19, 2008 at 2:52 PM, Xavier Periole <[EMAIL PROTECTED]> wrote:
> On Fri, 19 Sep 2008 17:28:20 +0530 (IST)
> Anirban Ghosh <[EMAIL PROTECTED]> wrote:
>>
>> Hi All,
>>
>> I am simulating a Coarse Grained model using implicit solvent c
Hi,
The same as in normal simulations.
I always use PME and PBC in my implicit solvent simulations.
Berk
> From: [EMAIL PROTECTED]
> Subject: Re: [gmx-users] Implicit solvent & PBC
> To: gmx-users@gromacs.org
> Date: Fri, 19 Sep 2008 14:52:39 +0200
>
> On Fri, 19 Sep 20
On Fri, 19 Sep 2008 17:28:20 +0530 (IST)
Anirban Ghosh <[EMAIL PROTECTED]> wrote:
Hi All,
I am simulating a Coarse Grained model using implicit solvent condition. Can
Periodic Boundary Condition and Particle-Mesh-Ewald be used with implicit
solvent simulation?
What would be the use of PME a
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