AMBER Archive (2007)

Subject: AMBER: FORTRAN code for calculating ENERGY of all the four terms (bonds, angles, dihedrals, nonbanded pairs) of Amber8's sander

From: Jiapu.Zhang_at_csiro.au
Date: Thu Oct 18 2007 - 18:15:05 CDT


Dear Amber friends,

 

I am searching the FORTRAN codes in Amber 8 software, for getting the
piece of FORTRAN code to calculate the ENERGY of Sander's [bonds +
angles + dihedrals + nonbonded-paris] four terms. The force field's
formula can be seen from http://amber.scripps.edu/eqn.txt, but the
actual parameters for this formula cannot be known exactly from this
website. Could you please present me some messages on how to get the
actual FORTRAN code for this formula, with exact parameters known?
Thanks in advance.

 

Faithfully yours,

Jiapu

 

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