[gmx-users] Swiss pdb viewer

[ahmet yıldırım]

Dear Justin,

Fatal Error:
Chain identifier 'A' was used in two non-sequential blocks (residue 710,
atom 5449)
I have sometimes this error for some pdb files.
1. Missing atom and residues entries, that GROMACS is unable to reconstruct.
2. HETATM entries which can not be processed using pdb2gmx.
Solution:
After I am reconstructing the pdb file using Swiss pdb viewer program (that
is, the program is doing fixes) , I am deleting the HETATM entries, I can
process it using pdb2gmx.

Is this solution the right ? Are there disadvantages?
-- 
Ahmet YILDIRIM
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110122/380fca4c/attachment.html>