[gmx-users] Morse potential

Ting Zheng zhengting.yq at gmail.com
Mon Apr 6 17:54:07 CEST 2015

Dear GMX Users,

As known that the morse potential in gromacs has a format of [image: V(r) =
D_e ( 1-e^{-a(r-r_e)} )^2]. But in my system , a value of -De should be
added in the system and the final format of the morse potential should be
like [image: V(r) = D_e (( 1-e^{-a(r-r_e)} )^2 -1)]. So my question is how
and where should modify the files that could add this constant value to the
morse potential ?  Many Thanks


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