[gmx-users] mdrun output conformation file loses chain identifier

Lee Soin nomadoro at gmail.com
Mon Jan 19 09:45:50 CET 2009


Hello!
I'm using GROMACS to perform a double-chain MD simulation. It surprises me
that the mdrun output conformation file ( specified by -c ) contains no more
chain identifier ( A or B ) that exists in the original input PDB file. So
can someone tell me how to re-integrate the chain identifier into the output
conformation file?

-- 
SUN Li
Department of Physics
Nanjing University, China
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