[gmx-users] Regarding soft-core potential

bipin singh bipinelmat at gmail.com
Tue Nov 26 13:52:29 CET 2013


Hello,

Below is the text taken from the page number 97 of Gromacs 4.6.4 manual:

"When soft core potentials are selected *(by setting sc-alpha ¿ 0)*, and
the Coulomb and Lennard-Jones potentials are turned on or off sequentially,
then the Coulombic interaction is turned off linearly, rather than using
soft core interactions, which should be less statistically noisy in most
cases".

*Doubt:*




*sc-alpha ¿ 0 is actually sc-alpha=0 *
Am I right ?


-- 


*-----------------------Thanks and Regards,Bipin Singh*


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