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
--
========================================
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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