[AMBER] Multiple Replicate Trajectories

From: Li,Haoxi <hl2500.chem.ufl.edu>
Date: Thu, 28 Oct 2021 15:21:17 +0000

Dear Amber Users,

I was planning to run multiple replicate production trajectories from the same equilibrated structure. Can I use the same input file (with ig=-1 and ntt=3) for all the replicate simulations? Do I need to change other options, like set ntx=1 or irest=0? Thank you in advance!

Best,
Haoxi
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Received on Thu Oct 28 2021 - 08:30:02 PDT