Hi Amber users,
I am trying to reproduce the Amber forces from my own calculations. I am very close, but I have determined that the discrepancies are from the lack of precision in the position coordinates of the atoms. I have tried using cpptraj with my input file:
parm nacl.parm7
loadcrd mdprod.nc name Crds
precision Crds 4.10
crdout Crds coords.dat
No matter what I try I can only get 3 decimal places. I would imagine there is a way to print out more decimal places. Does anyone know how I can do this?
Thanks in advance,
Lauren
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Received on Wed Jun 02 2021 - 13:00:02 PDT
