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

2009-10-14 Thread Justin A. Lemkul
mx-users] question about all atoms lipid molecule structure and force field Dear all, I have been trying to search for an all atom DPPC sructure (including the missing Hydrogens of long chain hydrocarbons) and then do an all atoms md simulation on it. I havent yet found any

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

2009-10-14 Thread Amit Choubey
: 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 > force field > > > Dear all, > I have been trying to search for an all atom DPPC sructure (including the >

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

2009-10-14 Thread LuLanyuan
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

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

2009-10-14 Thread Amit Choubey
Dear all, I have been trying to search for an all atom DPPC sructure (including the missing Hydrogens of long chain hydrocarbons) and then do an all atoms md simulation on it. I havent yet found any such structure or any force field that could be used for it on the internet. Is anybody familiar wit