Replica Exchange Setup
Posted: Mon Jul 20, 2009 4:11 pm
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
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