[gmx-users] TIGER2 implementation in GROMACS

João Henriques joao.henriques.32353 at gmail.com
Tue Sep 23 13:46:42 CEST 2014


Dear all,

Short and fast: I'm interested in using/testing the TIGER2*** method,
currently implemented in NAMD, but I'm what you would call a "GROMACS
person". Are there any plans to implement it for GROMACS in the near
future? Is this something that has been discussed among the developers at
some point?

This might come in handy for quite a few other people besides me, thus my
inquiry.

*** Citing the paper: "TIGER2 is a next-generation REMD method that offers
more efficient sampling compared to the original REMD method by reducing
the number of replicas required to span a given temperature range." DOI:
10.1016/j.cpc.2010.09.011

Best regards,
João


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