mark.j.abraham at gmail.com
Tue Jul 24 11:03:00 CEST 2018
What physical reality are you trying to model? Will it have water molecules
inside the CNT?
On Mon, Jul 23, 2018, 16:19 Andrew Bostick <andrew.bostick1 at gmail.com>
> I want to do md simulation of adsorbsion on small molecule on cnt and
> encapsulation small molecule into cnt. Should I remove water molecules
> inside of cnt?
> Do these molecules interfere with the interaction between cnt and small
> Gromacs Users mailing list
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> * 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