> Mask [:PTR.OP1] represents 0 atoms
my wild guess: there is either there is no atom name OP1 or no residue name
PTR.
may be O1P?
Anyway, try to use cpptraj. It's much better.
Hai
On Thu, Apr 14, 2016 at 10:55 PM, Wu Xu <wxx6941.louisiana.edu> wrote:
> Dear Amber users and developers,
>
> I want to analyze h bond which phosphotyrosine (nonstandard amino acid)
> phosphate oxygen is involved using ptraj. I included the following in the
> input file (attached)
>
>
> donor mask :PTR.OP1
>
> donor mask :PTR.OP2
>
> donor mask :PTR.OP3
>
>
>
> The output file (attached as well) gave me the following error
>
> PTRAJ: donor mask :PTR.OP1
>
>
> Mask [:PTR.OP1] represents 0 atoms !!!NO ATOMS DETECTED!!!
>
> WARNING in ptraj, donor: No atoms selected (:PTR.OP1), ignoring...
>
> PTRAJ: donor mask :PTR.OP2
>
> Mask [:PTR.OP2] represents 0 atoms !!!NO ATOMS DETECTED!!!
>
> WARNING in ptraj, donor: No atoms selected (:PTR.OP2), ignoring...
>
> PTRAJ: donor mask :PTR.OP3
>
> Mask [:PTR.OP3] represents 0 atoms !!!NO ATOMS DETECTED!!!
>
> WARNING in ptraj, donor: No atoms selected (:PTR.OP3), ignoring...
>
>
>
> Your suggestions will be much appreciated.
>
>
>
> Thanks,
>
>
>
> Wu Xu
>
>
>
> _______________________________________________
> 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 Fri Apr 15 2016 - 00:00:04 PDT
