Re: [gmx-users] mixed 1-4 scaling factor

2017-05-05 Thread Christopher Neale
oun...@maillist.sys.kth.se> on behalf of Qinghua Liao <scorpio.l...@gmail.com> Sent: 02 May 2017 18:00:54 To: gromacs.org_gmx-users@maillist.sys.kth.se Subject: [gmx-users] mixed 1-4 scaling factor Hello, I want to simulate a system using Amber and Glycam force fields together with gr

Re: [gmx-users] mixed 1-4 scaling factor

2017-05-05 Thread Mark Abraham
Hi, As you can see in the documentation of the topology file format in chapter 5 of the reference manual, whether intra-molecular "pair" interactions for, say, 1-4 interactions have parameters generated from the normal non-bonded interactions (perhaps via scaling), or not is a property of the

[gmx-users] mixed 1-4 scaling factor

2017-05-02 Thread Qinghua Liao
Hello, I want to simulate a system using Amber and Glycam force fields together with gromacs, I am wondering whether a scheme of mixed 1-4 scaling factors is available with Gromacs. I searched the mailing list, and I found this post which no one responded: