[gmx-users] REMD temperature spacing error

Nikunj Maheshwari nixcrazyforher at gmail.com
Wed Mar 13 11:24:58 CET 2013


Dear all.

We are trying to run REMD on two proteins : 292 and 44 aa residues using
GROMACS 4.6.
We are unable to obtain the temperature spacing using REMD temperature
generator (http://folding.bmc.uu.se/remd/) as it is giving myriad
temperature ranges (in the order of 150 for 250-550K range)

Is there any other way to determine the spacing? Can the equation
T(i)=T(0).e(k.i) be used, as we are unable to comprehend it?

Many thanks.
Nikunj



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