AMBER Archive (2006)

Subject: AMBER: Replica exchage: about exchange interval

From: Atsutoshi Okabe (okabe_at_cherry.bio.titech.ac.jp)
Date: Wed May 31 2006 - 07:36:27 CDT

Dear all,

 

I want to do replica exchange molecular dynamics with sander program.

Then, I want to set the replica exchange interval(= 0.4ps). But I don't

know how can I set the interval value in sander program.

(I set the time step =2fs and want to set total simulation time =100ns)

 

Could you please give me any suggestion?

Thank you.

acci

 

 

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