AMBER Archive (2005)

Subject: AMBER: MM-PBSA and 1-4 nonbonded interactions

From: Nelson Fonseca (nfonseca_at_dq.ua.pt)
Date: Wed Aug 31 2005 - 09:55:31 CDT


-- 
Nelson Fonseca <nfonseca_at_dq.ua.pt>

Dear list,

Are the 1-4 nonbonded interactions values present in the MM.PBSA output files scaled with the default factor of 1.2 for EEL (SCEE) and 2.0 for VDW (SCNB) interction? Or these values refers to the net 1-4 interactions energies without being scaled by any default value.

Thanks in advance

Regards,

Nelson Fonseca


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