Dear Amber developers and users,
I am trying print out force
By using modify "runmin.f90".
The printing force worked but
I found the number of snapshots was
Different between force and mdcrd.
e.g. a MDCRD file with 100 snapshots
gives 99 set of forces.
Why does it occurs?
I am most grateful if you answer this question.
Yours sincerely,
Ikuo KURISAKI
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Received on Sat Apr 13 2013 - 23:30:03 PDT
