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[ESPResSo-users] Triple Cos term formula for Dihedral potential

From: Muhammad Anwar
Subject: [ESPResSo-users] Triple Cos term formula for Dihedral potential
Date: Thu, 26 May 2011 08:47:19 +0200
User-agent: Thunderbird (X11/20101027)

Dear Users,
I want to use triple cos term dihedral potential in my simulation, which is
V = 0.5 *( K1 * (1 - cos(phi) + K2 * (1 - cos(2*phi) + K3 * (1 - cos(3phi) ).. Can anybody give any suggestion, how can i amend the given dihedral potential to use this potential? There may be two possibilities, one in which i just put the tcl command like this

inter 3 dihedral 1 1 0
and change the dihedral file according to my need by putting the different values of K and phi, but this would be more specific for only one case. The second option may be i write separate header file for it and use it. If i use first option i will just change the fac value by adding new terms for force and energy. Is it ok? or should i write new code for it, if yes how can i write and add? Please guide me?

Best Regards,
Muhammad Anwar

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