[gmx-users] question about all atoms lipid molecule structure and force field
lulanyuan at msn.com
Wed Oct 14 21:37:00 CEST 2009
You can find some configurations here:
And I think you can use Charmm FF.
Date: Wed, 14 Oct 2009 11:29:26 -0700
From: kgp.amit at gmail.com
To: gmx-users at gromacs.org
Subject: [gmx-users] question about all atoms lipid molecule structure and force field
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 with any such work ?
Is there any all atom model for hydrocarbons which is incorporated in Gromacs? I am not 100 % sure about it.
I want to do this to parametrize another force field which essentially uses all atom model.
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