Hello AMBER Users,
I am trying to perform a SMD Simulation of a protein with different Ionic
salts in NAMD. Some of the ff parameters are only found in the AMBER. So, I
want to use the AMBER ff.
But, for SMD in NAMD I need to provide the force pulling direction (X , Y
and Z) between the two specified atoms.
SMDDir x y z
Can anyone help me to figure out these direction form AMBER toplogy and
inpcrd files?
Regards,
Bharat Manna.
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Received on Thu Jul 06 2017 - 03:30:02 PDT
