Article ID: 1507 - Last Modified: June 17, 2011
I would like to run Prime with user-defined charges on, for example, unnatural side chains and methylated protein backbone. How do I do this?
From Maestro, write out the input file and then add the following keyword:
This will cause Maestro to use the charges from the .mae partial charge field.
If you are running Prime MM-GBSA, add '-cmae' to the command-line invocation.
#60: How do I run extended loop sampling or cooperative loop sampling jobs from the command line?
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