[gmx-users] Regarding soft-core potential

Justin Lemkul jalemkul at vt.edu
Tue Nov 26 14:07:22 CET 2013


On Tue, Nov 26, 2013 at 7:52 AM, bipin singh <bipinelmat at gmail.com> wrote:

> 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 ?
>
>
No. The bogus character should indicate "not equal to."

-Justin

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Justin A. Lemkul, Ph.D.
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