[gmx-users] A problem about the simulation of lipid bilayer!

[Erik Lindahl]

yong pei wrote:

>Dear all,
>
>  How can I select the parameters for the side chain
>of the lipid molecules? I have check in the .itp and
>.atp etc. files,but I was confuse about which
>parameter is proper for the long side chain . 
>  Can you tell me ?
>
> best regards,
> yong pei 
>
Lipids aren't polymers like proteins, so you'll have to create a special
topology or
rtp entry for every sort of lipid. Some of them are already present in
the forcefield
files, but most people simulating lipids prefer to use specially tuned
force fields
(check the literature), since the normal ones are usually tailored for
proteins.


Cheers,

Erik