[gmx-users] top parameters for pluronic f127

SAKO MIRZAIE sako.biochem at gmail.com
Fri Jun 3 17:34:55 CEST 2016


Dear All,

I am trying to convert my mol2 file to amber99sb itp to do MD by
gromacs. but, when I use ACPYPE software, it run and never finished.
my mol2 file is pluronic F127 and contains 2500 atoms. this structure
is a polymer and huge in size. how can I get an itp file for my
polymer? How can I simulate it in MD by gromacs? do polymers have some
tricks?

the molecular structure of f127 is: A99B67A99

where

A: ethylene oxide
B: propylene oxide

best regards,

-- 
***********************************************
sako mirzaie
PhD in biochemistry


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