[gmx-users] Re: gmx-users Digest, Vol 106, Issue 101

[Ali Alizadeh]

Dear Justin

Thank you for your reply,

>
>
> On 2/19/13 4:57 PM, Ali Alizadeh wrote:
>> Dear All users
>>
>> There are  a wall(a gold crystal with 111 orientation) and a bulk of
>> fluid(alkane) in my simulation box,
>>
>> My problem is, Is it possible to use a force filed for Au? Beside, Can
>> I use two force field at the same time?
>>
>
> You need a self-consistent force field that adequately describes all of the
> elements of your system.  Mixing and matching, even if syntactically possible
> through topology manipulation, leads to junk that no one should believe.

Why?

 In your opinion, Is there a force field for Au in gromacs? Can I
simulate this system by gromacs?

>
> -Justin
>
> --
> ========================================
>
> Justin A. Lemkul, Ph.D.
> Research Scientist
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin



-- 
Sincerely

Ali Alizadeh