On Thu, Jan 24, 2013 at 5:08 PM, Ali Alizadeh wrote:
> Dear All users
>
> How can i use only Buckingham potential(non bonded interaction) for my
> system? Is it possible?
>
Yes. First you need a force field that implements it, and then you need to
look in chapters 4 and 5 of the manual for the d
Andrew Paluch wrote:
To whom this may concern,
I am performing simulations for a system that is modeled with a
Buckingham potential and PME for the electrostatic interactions. I have
developed my forcefield file such that non-bonded cross terms are listed
in a table, and also 1-4 interaction
To whom this may concern,
I am performing simulations for a system that is modeled with a
Buckingham potential and PME for the electrostatic interactions. I
have developed my forcefield file such that non-bonded cross terms
are listed in a table, and also 1-4 interactions are listed in a
Hi all.
I was just wondering, and I even think this is a stupid question:
As well as there are the Lorentz-Berthelot combination rules (among others)
for the sigma and epsilon from Lennard-Jones parameters of different atom
types, how can the parameters from Buckingham potential of different ato
ARGYRIOS KARATRANTOS wrote:
Hi,
what values the [defaults] parameters must have,
( non-bonded function type compination rule )
in order to be able to use Buckingham potential for the non-bonded interaction?
2
Argyris Karatrantos
___
gmx-us
Hi,
what values the [defaults] parameters must have,
( non-bonded function type compination rule )
in order to be able to use Buckingham potential for the non-bonded interaction?
Argyris Karatrantos
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