What version of cpptraj are you using?
-Dan
On Wed, Feb 20, 2019 at 6:17 AM MYRIAN TORRES RICO <
myriam.torres.iiq.csic.es> wrote:
>
> Hi,
>
> thanks for the answers. I have change the ":" to "." and now it's ok,
> appearing 1 atom instead of 3:
>
> 0: [pucker p1 .2175 .2191 .2187 .2185 .2178 .2177 out pucker1.dat
> cremer range360]
> .2175 (1 atoms)
> .2191 (1 atoms)
> .2187 (1 atoms)
> .2185 (1 atoms)
> .2178 (1 atoms)
>
>
> But I haven't got the theta and amplitude angles yet...
> I don't know what to put inside the script...This is my script:
>
>
> pucker p1 .2175 .2191 .2187 .2185 .2178 .2177 out pucker.dat cremer
> amplitude theta range360
>
>
> and results:
>
> #Frame p1
> 1 97.8335
> 2 103.7672
> 3 107.0839
> 4 90.2098
> .
> .
> .
>
>
> Could it be failure of my topology file?...
>
>
> thanx in advance
>
>
> Myriam
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Feb 20 2019 - 05:00:02 PST
