[gmx-users] clayff

[Sohaib. Mohammed]

Hi,

Those are the nonbonded parameters for kaolinite. Hope it gonna help you.

ao    13 26.9815386  1.5750     A 4.2712357244e-01 5.5638832000e-06
    st    14 28.0850000  2.1000     A 3.3020270089e-01 7.7006520000e-06
    ob     8 15.9994000 -1.0500     A 3.1655413253e-01 6.5019360000e-01
    oh     8 15.9994000 -0.9500     A 3.1655413253e-01 6.5019360000e-01
    ho     1 1.0079400  0.4250     A 0.0000000000e+00 0.0000000000e+00



On Sun, Jan 7, 2018 at 4:17 AM, Shaofeng Wang <wangshaofeng at iae.ac.cn>
wrote:

> Dear experts,
> Could someone share clayff force field used for gromacs simulation and
> show simple examples?
>
>
> Best regards,
>
> Shaofeng
>
> --------------------------------------
> Shaofeng Wang, Ph.D of Geochemistry
> Environmental Molecular Science Group
> Institute of Applied Ecology, Chinese Academy of Sciences
> Shenyang, 110016, China
> wangshaofeng at iae.ac.cn
> www.iae.cas.cn
>
>
> --
> Gromacs Users mailing list
>
> * Please search the archive at http://www.gromacs.org/
> Support/Mailing_Lists/GMX-Users_List before posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>