Re: [AMBER] Insufficient frames generated

From: He, Amy via AMBER <amber.ambermd.org>
Date: Tue, 20 Feb 2024 21:05:49 +0000

Hi,

If the calculations ended normally, the number of frames should be equal to “nstlim” / “ntwx” in the MD input file. To get more frames, consider increasing the length of the simulation (“nstlim”) or reducing the intervals “ntwx” to write more frequently :) 


--
Amy He
Hadad Lab . OSU
He.1768.osu.edu
From: Godbole, Shivani via AMBER <amber.ambermd.org>
Date: Tuesday, February 20, 2024 at 11:03 AM
To: amber.ambermd.org <amber.ambermd.org>
Subject: [AMBER] Insufficient frames generated
Hello,
I'm using the AMBER18 package to run Constant pH MD simulations and have been following the tutorial but after running all the simulations, the trajectory file that was generated was only 15 frames and I need atleast 200 frames for the movie file for my experiment. I was wondering how I can fix this issue? Than k you!
Shivani Sujay Godbole
Biomedical Sciences
Penn State College of Medicine
Shivani Sujay Godbole
Biomedical Sciences
Penn State College of Medicine
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Received on Tue Feb 20 2024 - 13:30:02 PST
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