Maurício Menegatti Rigo wrote:
Hi,
someone can told me if this affirmative is true for GROMACS 4.0?
/"The force fields and water models available for biomolecules have been
developed for room temperature simulations"/
Or where I can find in the manual about this subject?
I would suggest looking at the primary literature for the force fields and water
models commonly used in biomolecular simulation. The Gromacs manual will not
give these details. Most biomolecular force fields have been parameterized for
condensed-phase simulations at a fairly narrow range of physiologically-relevant
temperatures. Any extensions or modifications of these force fields should be
documented in published papers.
-Justin
Thanks,
--
Mauricio
UFRGS
--
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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