Dear AMBER user,
I am using *mask command* in *cpptraj of AT14* to:
<1> I want to know the *atoms that are within the 4A from the oxygen atom
of a water molecule* (WAT.O) (solvent mask :158)* for a particular frame*
in an *autoimaged trajectory* as :
trajin autoimaged.mdcrd 11 11
strip :158.H*
mask "(:158<:4)&!:158" maskout mask.out
*MY PROBLEM IS*:
When I calculate the *distance between the atoms* that are coming out from
the mask command and the :158.O for that particular frame as :
trajin autoimaged.mdcrd 11 11
distance :158.O .58 out dist_11_58.dat
*I have found some of the distance >4A even upto 34A.*
I think this should not be happens but I am unable to identify the problem.
Regards
Aks
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Received on Tue Feb 02 2016 - 01:30:05 PST
