[gmx-users] simulation on DPPC membrane

Derrick Guang Yuh Lee k24dgyl at mun.ca
Thu Sep 11 00:29:00 CEST 2003

dear xiaoyi

the top file should make no difference for the water molecules as i used
the same one for a 40 dppc lipid monolayer w/ 3000 water molecules, and if
you want to add something, you can adjust the top file, but i do believe
there is a function in gromacs to create an appropriate top file, go
through the online manual and there should be something there to create

 - derrick

 derrick Lee
 faculty of Science
 Memorial University of Newfoundland
 k24dgyl at mun.ca or derrickglee at hotmail.com

"a teacher is never a giver of truth - he is a guide, a pointer to the
truth that each student must find for himself. a good teacher is merely a
                                                              - bruce lee

On Wed, 10 Sep 2003, xiaoyi li wrote:

> Dear derrick,
> Thanks for your response.
> The system I am going to simulation is different from Professor
> Tieleman's. The water molecules of mine are less and I want to put
> another molecular (lignin) in it. So I want to know how to get the top
> file of such big and hight-ordered system.
> Regards,
> xiaoyi
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