Re: [gmx-users] question about all atoms lipid molecule structure and force field

Amit Choubey wrote: Thank you, Is it really necessary for me to use Charmm FF for all atom calculations on lipids? You can use whatever model you want, provided it's valid. Just so happens that most people who use all-atom models of lipids use CHARMM. The reason I am asking this is be

Re: [gmx-users] question about all atoms lipid molecule structure and force field

Thank you, Is it really necessary for me to use Charmm FF for all atom calculations on lipids? The reason I am asking this is because it will require me to create gromacs compatible FF files of the Charmm FF . I did find two perl scripts which can do probably handle that but i am wondering if the

RE: [gmx-users] question about all atoms lipid molecule structure and force field

Hi, You can find some configurations here: http://persweb.wabash.edu/facstaff/fellers/ And I think you can use Charmm FF. Lanyuan Date: Wed, 14 Oct 2009 11:29:26 -0700 From: kgp.a...@gmail.com To: gmx-users@gromacs.org Subject: [gmx-users] question about all atoms lipid molecule structure and