[gmx-users] Placing a peptide at the air/water interface

Sun Nov 4 12:36:02 CET 2007

Hi all,

I am performing a simulation of an amphilic peptide at air/water interface. I want to start to simulation in which the peptide is placed at the interface. 

I changed the center of the system so that the center is now located at interface. Then, I used editconf command with -c option in order to center the peptide. I expect to place the peptide at interface. However, instead of placing it at interface, the center of the box is changed its old values. 

How can I place the peptide at air/water interface before starting a simulation?

Thanks in advance


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