[gmx-users] Melting Temperatue

chris.neale at utoronto.ca chris.neale at utoronto.ca
Thu Jan 13 19:40:19 CET 2011

This one comes to mind:

D. Paschek and A.E. Garcia, ?Reversible temperature and pressure  
denaturation of a protein fragment: Replica exchange molecular  
dynamics simulation study.? Phys. Rev. Let. 93: 238105 (2004)

-- original message --


Experimentals often use heating to define strength of contacts.

Has anyone tried to calculate this using MD/GROMACS or can anyone refer me
to a work which was done on this subject?


M.Sc. Student
Bar Ilan University

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