AMBER Archive (2009)

Subject: [AMBER] Scaling of dipole interactions

From: Diddo Diddens (d.diddens_at_uni-muenster.de)
Date: Tue Feb 10 2009 - 08:33:18 CST

Dear all,

I would like to continue polarizable simulations previously simulated with
another md program. That program uses 1-4 dipole-dipole (scaled to zero) and
1-4 charge-dipole (e.g. 0.8) scaling factors seperately from the general 1-4
scaling. Can this also be done in AMBER by the scaldip flag? Or will I have to
modify the code? If so, could you please tell me in which subroutines these
factor appear?

Regards,

Diddo

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