[gmx-users] error in umbrella sampling tutorial

[HANNIBAL LECTER]

http://lmgtfy.com/?q=There+is+a+dangling+bond+at+at+least+one+of+the+terminal+ends.+Fix+your+coordinate+file%2C+add+a+new+terminal+database+entry+(.tdb)%2C+or+select+the+proper+existing+terminal+entry
.

On Thu, Apr 23, 2015 at 8:47 AM, Ayesha Fatima <ayeshafatima.69 at gmail.com>
wrote:

> Dear Justin,
> I am learning to use the steered dynamics method implemented in
> gromacs. somehow your website is not accessible today so i cannot
> download the modified files of the fibrils for simulation. so i
> started withe the original file 2BEG.pdb and if i dont select the N
> and C termini modifications i get the error
> ...................
> There is a dangling bond at at least one of the terminal ends. Fix
> your coordinate file, add a new terminal database entry (.tdb), or
> select the proper existing terminal entry.
> .................
>
> Could you guide me through the issue?
> Thank you
> Regards
> Ayesha Fatima
> PhD candidate, UM, Malaysia
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