[gmx-users] error in pdb2gmx step
magiofer at gmail.com
Fri Mar 31 11:16:14 CEST 2006
it seems that pdb2gmx has detected an interruption in your chain A
numbering, are you sure that there are none? or else are you sure that
you're not using the same chain id for more than one chain? for example for
two different monomers?
hope it helps,
On 3/31/06, Annie Albin <anniealbin at gmail.com> wrote:
> Dear all,
> I faced a problem in the pdb2gmx step as i got this following error
> "Fatal error:
> Chain identifier 'A' was used in two non-sequential blocks (residue 908,
> atom 7013)"
> As I'm pretty new to this field. I'm finding it difficult to troubleshoot.
> Any suggestions would be of great help.
> Thank you,
> Annie Albin.
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