s.org_gmx-users-boun...@maillist.sys.kth.se
[gromacs.org_gmx-users-boun...@maillist.sys.kth.se] on behalf of Justin Lemkul
[jalem...@vt.edu]
Sent: 12 October 2016 22:56
To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] Fine tune the RDF of water around a dummy metal
On 10/12/16 5:32 PM, Nash, Anthony
From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se
[gromacs.org_gmx-users-boun...@maillist.sys.kth.se] on behalf of Justin Lemkul
[jalem...@vt.edu]
Sent: 12 October 2016 22:56
To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] Fine tune the RDF of water around a dummy metal
On 10/12/16 5:32 PM, Nash, An
On 10/12/16 5:32 PM, Nash, Anthony wrote:
Hi all,
I¹m trying to fine tune the rdf of tip3p water molecules around a central
metal dummy molecule ("Force Field Independent Metal Parameters Using a
Nonbonded Dummy Model²), essentially a central metal (with vdw parameter
and -1 charge) covalently
