[gmx-users] Preserving chain id/information when using editconf (gromacs 4.0.7)

Shay Teaching shay.teaching at gmail.com
Mon Nov 1 11:55:16 CET 2010


Hi everyone,

I've come across some problem: I am simulating a protein that is composed of
several chains. My original pdb file includes information about chains but
every time I use editconf my chain information vanishes. the only other
option I have is using -label which gives bogus results.

Is there anyway to have editconf preserve the chain information it finds in
the original file?

Much obliged,
-Shay

-- 
--------------------------------------------------------
Shay Amram,
M.Sc. Dep. of Biochemistry,
Faculty of Life Sciences,
Tel Aviv University,
www.tau.ac.il/~shayamra
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