[gmx-users] how to do neutralization?
joao.m.a.henriques at gmail.com
Thu Nov 2 10:53:49 CET 2017
What system is that and what force field are you using? Building blocks
usually have integer net charges, this is rather unusual.
On Thu, Nov 2, 2017 at 10:02 AM, Seera Suryanarayana <palusoori at gmail.com>
> Dear gromacs users
> I got the system non-zero total charge: -0.226000. When I add one NA ion to
> the system I got non-zero total charge: +0.77. What is the way to
> neutralize the system?
> Thanks in advance
> Graduate student
> 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