Re: [gmx-users] Denaturation of Proteins by MARTINI Coarse-Graining Forse Field

2009-12-16 Thread XAvier Periole
Is this a real gromacs-user question? Have your tried to contact the MArtini developers? As a matter of fact some of them have prepared a new MARTINI web-site where a discussion forum will be on. To answer your question: using MARTINI for the unfolding mechanism of proteins would be very chall

[gmx-users] Denaturation of Proteins by MARTINI Coarse-Graining Forse Field

2009-12-16 Thread rasoul nasiri
Dear GMX users, Hi I'm working on denaturation of proteins with MARTINI CGFF by Gromacs suit. according to this paper (J. Chem. Theory and Comput. 2008, 4, 819–834) I undestand there is a limitation for modeling of folding and unfolding with MARITI CGFF for systems in which the folding and unfoldi