[rajeswari]

Hi,

I am Rajeswari, new to this community. I am really admired at the work by Yugi Sugita reported recently in JCP, 2018 about generalized REST simulation. According to the paper, gREST is implemented in the developer version of GENESIS SPDYN. I would like to use the code for my research work. Can you please share with me that developer version?

Thanks in advance.
Rajeswari A
SERB National Postdoctoral Fellow
Molecular Biophysics,
Indian Institute of Science,
Bangalore, India – 560 012

[jwjung]

We’re going to release the new version (GENESIS 1.3) within a week, and gREST is included in GENESIS 1.3. Please visit our website once again and download the new version.

[rajeswari]

Dear Jwjung
Thank you very much for a fast release of this exciting tool. Hope I could use it successfully for my system.
Thanks once again,
Rajeswari

[rajeswari]

Hi,
Is it possible to combine REST and T-REMD in two-dimension? If yes, Can you please suggest me how to do it?

Thanks,
Rajeswari

[jwjung]

REST is desgined to reduce the number of replicas compared to T-REMD. We can combine REST with other CV exchaging schemes like REUS in two dimensions, but we do not recommand combining REST and T-REMD in two dimensions.