[gmx-users] Reg: REMD error

[Justin A. Lemkul]

Rohit Farmer wrote:
> Hi there,
> 
> I am running the REMD and I got the following error
> 
> Fatal error:
> The properties of the 8 systems are all the same, there is nothing to 
> exchange
> 
> can anyone explain me what it is about and what should i do to solve it.
> 

It sounds to me like you're running 8 copies of the same system, rather than 
actually setting up temperature or Hamiltonian differences that will result in 
exchanges.  See:

http://www.gromacs.org/Documentation/How-tos/REMD

-Justin

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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