GROMACS version: 5.1.4
GROMACS modification: Yes/No
I am doing REMD simulation and for this temperature distribution is necessary. For this I am opening the site http://folding.bmc.uu.se/remd/ which cannot be reached. Any body can suggest me what should I do.
Hi,
Here you can find information how to choose the temperature for replica exchange
https://manual.gromacs.org/current/reference-manual/algorithms/replica-exchange.html
Best regards
Alessandra
Thank you for the reply
But I want to know the different temperatures for number of replicas in a range of temperature
Hi,
I am not sure that I fully understood what you want.
I understood you want the temperature distribution for each the replica. To get them, you can use gmx energy to extract the temperature and the gmx analysis to get the distribution of the temperature.
Best regards
Alessandra
David posted a workaround here: