[gmx-users] Is that true?

Justin A. Lemkul jalemkul at vt.edu
Wed Feb 17 00:43:13 CET 2010

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.


> Thanks,
> --
> Mauricio


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


More information about the gromacs.org_gmx-users mailing list