Article ID: 1741 - Last Modified: October 11, 2012
How can I use a different version of OPLS in my MM-GBSA jobs?
You can do this from the command-line, by using an option to the prime_mmgbsa command:
$SCHRODINGER/prime_mmgbsa -prime_opt OPLS_VERSION/ffld [options] inputFile
OPLS_VERSION keyword, then run the program from the command line.
To list the options for prime_mmgbsa, enter the following command:
$SCHRODINGER/prime_mmgbsa -h
See the Prime User Manual for details of the prime_mmgbsa command and its input file.
If you need additional help, please email us at help@schrodinger.com.
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