[AMBER] Electrostatci and van der Waals energy in Amber11

From: <Okabe_Atsutoshi.takeda.co.jp>
Date: Wed, 3 Aug 2011 12:23:40 +0900

Dear Amber users,

I would like to calculate interaction energy(Electrostatic and vdW energy) between one molecule and the others(protein and solvent) in Amber11 version. I know that we used anal module to do until Amber7. However, in Amber11, anal module have been retired.

Could you tell me how to calculate the interaction energy in Amber11?

Best regards,
Atsutoshi Okabe




_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Aug 02 2011 - 20:30:03 PDT
Custom Search