[AMBER] iwrap and mmpbsa

From: Mary Varughese <maryvj1985.gmail.com>
Date: Fri, 3 Jun 2016 15:46:40 +0530

Sir,

I run a simulation using iwrap=1.
Should i reimage the trajectory before performing MMPBSA?

Also i want to run several 1 ns (repeat) simulations. Is it necessary to
use iwrap=1 for such short trajectory.?


thanking you

mary
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Received on Fri Jun 03 2016 - 03:30:02 PDT