Knowledge Base

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

where ffld is the version of the desired force field. The default is 2005. You can also write out the input file and edit it to add the 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.

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