[gmx-users] The file

Elias santos silvasantosster at gmail.com
Mon Aug 14 21:37:47 CEST 2006


HI! I have a problem.

 I am working with a molecule that will count two clusters, co-ordinated for
cysteins.

But in the pdb file does not exist linkings between iron atoms and of the
cystens, even so literature affirms that it exists.

How I can edit this file?
 Therefore when I edited it even so it has if visualized the linkings in
this format (pdb), when processing it with pdb2gmx the linkings
between irons and atoms SG of the cisteĆ­nas these linkings do not appear in
the topology archive. What it can be?

E, Silva
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