[gmx-users] Melting Temperatue

[chris.neale at utoronto.ca]

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 --

Hello,

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?

Thanks,
Ifat

M.Sc. Student
Bar Ilan University