[gmx-users] a question about pepetide chains interaction

Wang Zhun wangzhun at pumc.edu.cn
Sat Dec 17 14:34:44 CET 2005

Hi, all,

If I want to simulate the interaction between two peptides, based on previous mailling posts, I should generate two separate .gro structures and .top topologies for each pepetide and combine them for further MD simulation.
Now I wonder if I generate the structure with two pepetides in one file and name each with different identifier, can I carry MD simulation in a way of simulation of protein with multiple subunits in the FAQ?


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