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biowerkzeug •Replica Exchange Setup
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Replica Exchange Setup

Posted: Mon Jul 20, 2009 4:11 pm
by m.kalavera
Hello everybody,
I want to start a replica exchange simulation (REMC). For this purpose , I took my normal MC hippo_input.txt file and changed MC simulation into REMC simulation. Following the instructions in the manual, I created a file with the name remc_temperature.dat, which consist of 4 lines, containing one number (e.g: 300.0).
The simulation exits with code 0. What is the problem ? The log.txt looks familiar and the hippo.log shows the version number, but nothing more. What could be the cause and what do I need to transform an MC simulation into a REMC ?

Thanks for your help and time,
M.Kalavera

Re: Replica Exchange Setup

Posted: Mon Jul 20, 2009 4:33 pm
by martin
Hi,

Have you installed mpich2 and is the demon running?
I will check again if it runs on our machines and let you know if there's an issue. What machine are you using? We have tested it on Linux and Windows.

Best wishes,
Martin