Knowledge Base

Article ID: 1180 - Last Modified: March 29, 2011

OPLS appears to be the only available force field for Impact jobs. Are there other options?

When setting up jobs in Maestro, the OPLS force fields are the only available force field options. However, it is possible to run certain types of jobs with different force field settings by editing the SET FFIELD line in the Impact input (Dice) file. For instance, basic Impact jobs can be run with the AMBER86 force field.

For more information, see section 2.1.2, "Set Ffield" of the Impact Command Reference Manual. For an example input file that uses the AMBER86 force field, see $SCHRODINGER/impact-vversion/samples/create/bdna.inp.

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