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[ESPResSo] Harmonic bonds
From: |
Mikhail Stukan |
Subject: |
[ESPResSo] Harmonic bonds |
Date: |
Tue, 12 Oct 2010 15:18:25 +0300 |
Dear all,
I have noticed that in the recent version (2.2.0b), the is a change in
the format for harmonic bond interaction. (May be the change has
happened before, I switched from 2.0.5 to 2.2.0 directly). Namely in
the conformation file I have something like
{interactions
{1 HARMONIC 100.0 1.0 -1.0}
.....
}
My question is about the last "-1.0". According to the manual the format is :
inter bondid harmonic K R
so I provide
inter 1 harmonic 100.0 1.0
But in the output configuration have this additional "-1.0" term.
Could you please tell me what is its meaning?
Thank you very much in advance,
Mikhail
- [ESPResSo] Harmonic bonds,
Mikhail Stukan <=