[gmx-users] gmx morse potential in manual
Robson da Silva
rooliboni at gmail.com
Wed Oct 29 17:52:46 CET 2014
Hi gmx users, is there an error in gmx manual about the Morse potential
derivative (page 89, 5.0.2 manual)?
In the expression there is an r_{ij} in the numerator, is it correct?
I implemented a morse potential in a small program and it agrees with gmx
results only when I discarded it.
Best
Robson
--
-----------------------------------------------------------
Robson da Silva
mail: rooliboni at gmail.com
More information about the gromacs.org_gmx-users
mailing list