[gmx-users] question about chain identifier
kgp.amit at gmail.com
Fri Sep 18 04:13:04 CEST 2009
I had a question about the purpose of chain identifier character in pdb.
What does it mean for Gromacs, i mean what does gromacs do with it? I
actually have a "bad" pdb file which has *different* chain identifiers for
first few molecules of the same type and then there exists none for rest of
the molecules (I am dealing with only one kind of molecule). The limitation
is due to the fact that the chain identifier has to be a single character.
Now the molecules are also distinguished by there residue sequence no. in
the pdb file, which makes the purpose of chain identifier useless.
So should i get rid of all the chain identifiers in the pdb file?
I am also interested in knowing what the chain identifier really does?
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