[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
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
More information about the gromacs.org_gmx-users
mailing list