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

Hwankyu Lee leehk at umich.edu
Fri Sep 17 15:28:51 CEST 2004


Dear gmx-users,

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.
Is there any way to put partial charges for glycerol other than using 
prodrg?

best,
Hwankyu.




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