Re: [gmx-users] How to set the temperatures for REMD?

2020-01-22 Thread Alessandra Villa
Hi, On Wed, Jan 22, 2020 at 5:55 PM ZHANG Cheng <272699...@qq.com> wrote: > My purpose of running REMD is to generate sufficient conformation > sampling, and try to use them to explain the in vitro data at 65C (338.15K). > > > I am using the "Temperature generator for REMD-simulations" at >

[gmx-users] How to set the temperatures for REMD?

2020-01-22 Thread ZHANG Cheng
My purpose of running REMD is to generate sufficient conformation sampling, and try to use them to explain the in vitro data at 65C (338.15K). I am using the "Temperature generator for REMD-simulations" at http://folding.bmc.uu.se/remd/ I am not sure about the "standard/default" values of