[gmx-users] clustering of ions during NPT simulation

Paul Buscemi pbuscemi at q.com
Fri Jun 28 13:00:53 CEST 2019


Are you sure you want 1m And not 0.1?

PB

> On Jun 27, 2019, at 2:44 PM, Netaly Khazanov <netalyk at gmail.com> wrote:
> 
> Hi All,
> I perform simulation of a transmembrane protein in a membrane in 1M
> concentration of NaCl.
> During the simulation, I noticed that ions began to cluster and they are
> not evenly spread after 10 ns. Is it a problem or I can proceed further?
> Thanks in advance,
> Netaly
> 
> -- 
> Netaly
> -- 
> 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 mailing list