[gmx-users] trjconv PDB format problems (3.2.1)

Tamas Horvath hotafin at gmail.com
Fri Feb 3 14:07:49 CET 2006


Hi!
trjconv generates an invalid HEADER record.

REMARK    GENERATED BY TRJCONV
HEADER    Protein in water t=   0.00000
REMARK    THIS IS A SIMULATION BOX

According to the pdb file format specifications, it's an invalid header, and
it causes problems while parsing.
So, can it be changed to REMARK?

(Sorry if it has been changed since 3.2.1)
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