[gmx-users] A question on the topology of POPG (prodrg?)

Marc Lensink lensink at scmbb.ulb.ac.be
Fri Sep 17 16:08:32 CEST 2004


On 17 Sep 2004, at 15:28, Hwankyu Lee wrote:

> I'm trying to put partial charge of POPG in the topology file. I can 
> use other parts from POPC topology file, but glycerol part cannot be 
> used from POPC.
> I was trying to use prodrg, but I could see that there is difference 
> of partial charges between the result of prodrg and Dr. Tieleman's 
> original POPC topology when I tried POPC.

i have a popg topology for you if you want. contact me off-list for the 
files.

marc
-- 
Marc F. Lensink - lensink at scmbb.ulb.ac.be
http://www.biochem.oulu.fi/~lensink/
SCMBB-ULB, Bd. du Triomphe - CP 263, B-1050 Brussels, Belgium




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