[gmx-users] (no subject)

Bratin Kumar Das 177cy500.bratin at nitk.edu.in
Tue Nov 12 15:23:52 CET 2019


I think you have capped your residue in the N-terminal and C-terminal
end...and the capping is not defined in your .rtp entry.. that's why this
error is coming

On Tue 12 Nov, 2019, 3:58 PM shakuntala dhurua, <madhu.dhurua94 at gmail.com>
wrote:

> hello,
> Here I want to generate arg.pdb to arg.gro by using amber99sb force field .
> for test i have used 1 residue of arginine but i got Fatal error:
> There is a dangling bond at at least one of the terminal ends and the force
> field does not provide terminal entries or files. Fix your terminal
> residues so that they match the residue database (.rtp) entries, or provide
> terminal database entries (.tdb). and following is the attach pdb format
> which i have used for pdb2gmx ,please suggest me to solve this problem
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