Re: [gmx-users] 回复:Re: 回复:Re: Mixing rule between organic and inorganic units

2018-08-13 Thread Mark Abraham
Hi, There's a fundamental difference between a a calculation and a simulation, which is that the latter can defend its claim to model reality. Anybody can put parameters into an equation. Mark On Mon, Aug 13, 2018, 18:49 Justin Lemkul wrote: > > > On 8/13/18 11:47 AM, Baolin Huang wrote: > > H

Re: [gmx-users] 回复:Re: 回复:Re: Mixing rule between organic and inorganic units

2018-08-13 Thread Justin Lemkul
On 8/13/18 11:47 AM, Baolin Huang wrote: Hi all, That is a pure simulation work,no experimental data. The reviewer doubt the Lorentz-Berthelot combination rule for calculating the interaction energy between BMP-2 and HAP. I have to persuade the reviewer that the mixing rule works well in the

[gmx-users] 回复:Re: 回复:Re: Mixing rule between organic and inorganic units

2018-08-13 Thread Baolin Huang
Hi all, That is a pure simulation work,no experimental data. The reviewer doubt the Lorentz-Berthelot combination rule for calculating the interaction energy between BMP-2 and HAP. I have to persuade the reviewer that the mixing rule works well in the BMP-2/HAP system. Thanks for your help. Baol