[gmx-users] Re: what is sigma in gromacs? the radius of a sphere or the diameter of a sphere?
devicerandom at gmail.com
Thu Aug 15 14:45:30 CEST 2013
You have to define what do you mean by "interaction diameter".
2013/8/15 grita <cemilyigit at arcor.de>
> Hi Justin,
> thanks for your help.
> What I want to understand is the following:
> I have two particles and the interaction diameter should be 5 angstroms.
> The \sigma in this formulas
> c^6 = 4 \epsilon \sigma^6
> c^12 = 4 \epsilon \sigma^12
> would be 5, or?
> Best, grita
> View this message in context:
> Sent from the GROMACS Users Forum mailing list archive at Nabble.com.
> gmx-users mailing list gmx-users at gromacs.org
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> * Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
More information about the gromacs.org_gmx-users