Thanks Mark! This is exactly what I need.
> Date: Wed, 15 Aug 2012 22:18:10 +1000
> From: mark.abra...@anu.edu.au
> To: gmx-users@gromacs.org
> Subject: Re: [gmx-users] Parameters for bonded interactions
>
> On 15/08/2012 8:44 PM, Se
o look up the interaction
parameters from their list.
Mark
Thanks again,
Sebastien
Date: Wed, 15 Aug 2012 11:48:00 +1000
From: mark.abra...@anu.edu.au
To: gmx-users@gromacs.org
Subject: Re: [gmx-users] Parameters for bonded interactions
On 15/08/2012 9:46
onvert the .tpr file to 'human readable'?
Thanks again,
Sebastien
> Date: Wed, 15 Aug 2012 11:48:00 +1000
> From: mark.abra...@anu.edu.au
> To: gmx-users@gromacs.org
> Subject: Re: [gmx-users] Parameters for bonded interactions
>
Thanks a lot Mark!
> Date: Wed, 15 Aug 2012 11:48:00 +1000
> From: mark.abra...@anu.edu.au
> To: gmx-users@gromacs.org
> Subject: Re: [gmx-users] Parameters for bonded interactions
>
> On 15/08/2012 9:46 AM, Sebastien Cote wrote:
>
On 15/08/2012 9:46 AM, Sebastien Cote wrote:
Dear Gromacs users,
In the topology file of the protein, we see every two atoms that share a bond,
three atoms that share a bond angle, and four atoms that share a torsion angle.
However, the parameters (equilibrium value, energy constant, phase) ar
Dear Gromacs users,
In the topology file of the protein, we see every two atoms that share a bond,
three atoms that share a bond angle, and four atoms that share a torsion angle.
However, the parameters (equilibrium value, energy constant, phase) are not
explicitly shown as Gromacs fetch them
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