[gmx-users] Membrane protein insertion/orientation methods

2015-08-21 Thread Yasser Almeida Hernández
Hi all, Among the methods available, which one is the best/more rigorous/popular for membrane protein insertion/orientation in model bilayers (InflateGRO, Memembed, g_membed, etc.)? Thanks in advance Yasser -- Yasser Almeida Hernández PhD student Institute of Biochemistry and Molecular Biol

Re: [gmx-users] Membrane protein insertion/orientation methods

2015-08-21 Thread Tsjerk Wassenaar
Hi Yasser, InflateGRO and g_membed do not predict the insertion or orientation, but require the protein to be oriented already. With InflateGRO2, Christian Kandt also brought out LAMBADA which may help aligning a protein with the membrane. memembed is also an orientation predictor. However, I usua

Re: [gmx-users] Membrane protein insertion/orientation methods

2015-08-21 Thread Catarina A. Carvalheda dos Santos
Hi there, Lambada + InflateGRO2 is a good combination. As for which method is the best one is difficult to say. If you read the articles you will have a nice idea of the pros and cons of each method and then you can decide by yourself. The only thing I can say is that after reading them all I wen

Re: [gmx-users] Membrane protein insertion/orientation methods

2015-08-21 Thread Yasser Almeida Hernández
nd it seems tha the system is blowing up... Any thoughts? Yasser Am 21.08.2015 um 12:00 schrieb gromacs.org_gmx-users-requ...@maillist.sys.kth.se: Date: Fri, 21 Aug 2015 10:31:58 +0100 From: "Catarina A. Carvalheda dos Santos" To: Discussion list for GROMACS users S