Re: [gmx-users] Regarding Coulomb-14 Energy

On 4/18/18 5:49 AM, za...@tezu.ernet.in wrote: Dear Mark Thank you for the kind response. H with +0.418 charge and N with -0.845 charge is contributing towards coulomb 14 interaction. So what is the amount of interaction between one single H and N (3 bonds apart)? Kindly correct me if I am

Re: [gmx-users] Regarding Coulomb-14 Energy

Hi, On Wed, Apr 18, 2018 at 10:50 AM wrote: > >> Dear Mark > >> Thank you for the kind response. > >> H with +0.418 charge and N with -0.845 charge is contributing towards > coulomb 14 interaction. So what is the amount of interaction between > one > >> single H and N (3

[gmx-users] Regarding Coulomb-14 Energy

>> Dear Mark >> Thank you for the kind response. >> H with +0.418 charge and N with -0.845 charge is contributing towards coulomb 14 interaction. So what is the amount of interaction between one >> single H and N (3 bonds apart)? Kindly correct me if I am wrong. Thank you Justin for your kind

Re: [gmx-users] Regarding Coulomb-14 Energy

Hi, Presumably Gdm has atoms connected by three adjacent bonds that generally have negative potential, and there's enough Gdm to make the total for the system negative. It's generally a good idea to understand how the topology you're using for Gdm works. Mark On Tue, Apr 10, 2018 at 2:23 PM