[AMBER] CPPTRAJ read different frames

From: Rana Rehan Khalid <rrkhalid.umich.edu>
Date: Thu, 19 Jul 2018 22:08:23 +0500

Dear Amber Users

I performed 4 simulations for 30 ns. The total number of steps 15000000 and
dt=.002. When I employed CPPTRAJ .out file, I observed that

co2.mdcrd' is an AMBER trajectory, Parm final_solv.prmtop (Orthogonal box)
(reading 2500 of 2500)

while the total number of steps = 2500000 among these only 2500 read. (cuda)

while the other three simulations the CPPTRAJ read 25000 of 25000. (sander)

Three ran with basic sander while one system simulation performed through
cuda version.

KInd Regards
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Received on Thu Jul 19 2018 - 10:30:03 PDT
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