Re: [modeller_usage] How to constrain the computational resources used for Modeller?
To: ZHANG Cheng <>, modeller_usage <>
Subject: Re: [modeller_usage] How to constrain the computational resources used for Modeller?
From: Modeller Caretaker <>
Date: Mon, 18 May 2020 10:05:58 -0700
On 5/18/20 2:33 AM, ZHANG Cheng wrote:
I need to build a model with over 16,000 residues on Win10 which
requires high demand for memory (maybe CPU as well). Can I set the
maximum memory MODELLER uses, so that my PC will not freeze, and I can
terminate the program without forcing the PC to restart? Thank you!
Modeller needs memory to store the set of restraints, which will scale
roughly as the square of the number of atoms in your system. Thus the
only realistic way to constrain Modeller to use less memory is to model
a smaller system. That being said I'm surprised you're running out of
memory - Modeller's memory usage is generally quite modest and shouldn't
be an issue on a typical modern 64-bit system (it was written in the
1990s when systems were much less powerful).