[gmx-users] Calculation of potential of mean force between sodium and chloride ion pair in water using replica exchange umbrella sampling in gromacs
vivecalindahl at gmail.com
Fri Mar 9 16:19:47 CET 2018
Umbrella sampling replica exchange is currently not implemented in GROMACS.
On Thu, Mar 8, 2018 at 5:32 PM, Mayank Dixit <dixit.mayank2 at gmail.com>
> Dear Gromacs Users,
> I would like to calculate the potential of mean force between sodium and
> chloride ion pair in water using replica exchange umbrella sampling method
> in gromacs. Please let me know the details of replica exchange umbrella
> sampling in gromacs.
> Thanks and kind regards
> *Dr. Mayank Dixit *
> Post-doctoral fellow
> Department of Chemistry
> The city college of New York
> Marshak Science Building
> 160 convent avenue 138th street.
> New York, NY-10031
> Cell no: 16465894905
> 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.
More information about the gromacs.org_gmx-users