[gmx-users] REMD temperature spacing formula

Nikunj Maheshwari nixcrazyforher at gmail.com
Thu Apr 4 08:13:41 CEST 2013

Dear all,

We are stuck at the last stage of running a successful REMD.
We have obtained average potential energy by fitting the energy values from
initial MD.
We want to get the temperature spacing for 72 replicas, starting from 280K.
We have gone through numerous papers, but none of them explain clearly how
they got the spacing values.
Is there any equation/formula/web utility which gives the spacing?

Any help will be highly appreciated.

Thank you.
Nikunj & Suhani

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