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
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Received on Thu Apr 14 2016 - 20:00:04 PDT
