[gmx-users] Re: gmx-users Digest, Vol 106, Issue 101
ali.alizadehmojarad at gmail.com
Tue Feb 19 23:07:36 CET 2013
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.
In your opinion, Is there a force field for Au in gromacs? Can I
simulate this system by gromacs?
> Justin A. Lemkul, Ph.D.
> Research Scientist
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
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