Hi,
I’ve made some improvements to the dssp/secstruct code since the AT20
release. Try using the GitHub version of cpptraj; see if that works better.
https://github.com/Amber-MD/cpptraj
-Dan
On Wed, Mar 10, 2021 at 10:48 PM Kodituwakku,Dimuthu Nirmani <
dkodituwakku.ufl.edu> wrote:
> Hi,
>
> I'm using secstruct on cpptraj to analyze the secondary structure of my
> trajectory. It produces an error "Error: Too many bridges for 248 (to 54)".
> I'm using cpptraj on Amber/20 and charmm forcefields. The command I used
> for my calculation is "secstruct :1-587 out dssp.gnu nameh HN ".
>
> Any help would be greatly appreciated!
>
> Thank you,
>
> -Dimuthu
>
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Received on Sat Mar 13 2021 - 06:00:09 PST
