Re: [gmx-users] question about all atoms lipid molecule

Hi, I need to do an all atom simulation for dppc bilayer . You are right the dppc molecule file that i have has PALM and PCGL residues. Well, I don't know where you got the dppc molecule from, I thought you said you didn't have any DPPC structure with hydrogens? Anyway, I'll send you the

Re: [gmx-users] question about all atoms lipid molecule

Hi, 15 okt 2009 kl. 07.08 skrev gmx-users-requ...@gromacs.org: 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 compatible FF are already

Re: [gmx-users] question about all atoms lipid molecule

Hi Par Bjelkmar, I need to do an all atom simulation for dppc bilayer . You are right the dppc molecule file that i have has PALM and PCGL residues. I will like to try to set up the charmm FF for gromacs. But I dont have the FF files with me, neither do i have the programs. Could you send me a

[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 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

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

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

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 missing Hydrogens of long chain hydrocarbons

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

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 such structure