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
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
