[gmx-users] a question on g_hbond

Acoot Brett acootbrett at yahoo.com
Sun Nov 4 06:52:02 CET 2012

Dear All,

I have a protein complex PDB composed of chain A and Chain B. I want to dtermine the hydrogen bonds between chain A and chain B.

By g_hbond it request me to input the group twice. But both chain A and chain B belong to group "protein". In this situation how can I determine the hydrogen bond between chain A and B? 

And if I want to which donor and acceptor form a hydrogen bond, which option of the g_hbond command has this function?

I am looking forward to getting your reply.



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