Re: [gmx-users] protein+ligand+membrane: which forcefield?

thanks also to Valerio for his kind suggestion. Anna -- Message: 5 Date: Wed, 02 Feb 2011 12:54:32 -0500 From: "Justin A. Lemkul" Subject: Re: [gmx-users] protein+ligand+membrane: which forcefield? To: Discussion list for GROMACS users Message-ID: <

Re: [gmx-users] protein+ligand+membrane: which forcefield?

Dear Anna, I think it's better to keep one single force field... I don't know which ff is better for your simulation, but for example you can manually correct the definition that PRODRG gives you and adjusting it for GROMOS 53a6 paramenters. Valerio anna.marabo...@isa.cnr.it ha scritto:

Re: [gmx-users] protein+ligand+membrane: which forcefield?

anna.marabo...@isa.cnr.it wrote: Dear all, I have to perform a simulation in which a protein with a ligand is included in a lipid bilayer+water. In the Justin Lemkul's tutorial on membrane simulations, I see that the chosen forcefield is Gromos96 53a6 manually corrected to include the Berger l

[gmx-users] protein+ligand+membrane: which forcefield?

Dear all, I have to perform a simulation in which a protein with a ligand is included in a lipid bilayer+water. In the Justin Lemkul's tutorial on membrane simulations, I see that the chosen forcefield is Gromos96 53a6 manually corrected to include the Berger lipids parameters. However, to create