From: soroush ziaei (soroush.ziaei7337_at_gmail.com)
Date: Fri Oct 19 2018 - 13:58:37 CDT
i want to perform fep simulation in the vaccum for a drug inorder to
comprasion with solvated state but after few seconds an error appears in
the terminal about ensemble that says Alchemical FEP can be performed only
in constant temperature simulations.
i puted config files below:
This archive was generated by hypermail 2.1.6 : Tue Dec 31 2019 - 23:20:15 CST