Re: [gmx-users] RE: Re: Binding Energy to Binding affinity (Kd) (Justin Lemkul)

2012-10-04 Thread Justin Lemkul
On 10/4/12 10:52 AM, jiang wrote: Justin Lemkul wrote On 10/2/12 4:39 AM, Du Jiangfeng (BIOCH) wrote: Hi Justin, I used ~20 windows to sample ~2 nm pulling. I notice that the distance between the complex being increased during the pulling but not gradually. At the distance of 0-1nm, there ar

[gmx-users] RE: Re: Binding Energy to Binding affinity (Kd) (Justin Lemkul)

2012-10-04 Thread jiang
Justin Lemkul wrote > On 10/2/12 4:39 AM, Du Jiangfeng (BIOCH) wrote: >> Hi Justin, >> >> I used ~20 windows to sample ~2 nm pulling. I notice that the distance >> between the complex being increased during the pulling but not gradually. >> At the distance of 0-1nm, there are 70 snapshots (the dist

Re: [gmx-users] RE: Re: Binding Energy to Binding affinity (Kd) (Justin Lemkul)

2012-10-02 Thread Justin Lemkul
On 10/2/12 4:39 AM, Du Jiangfeng (BIOCH) wrote: Hi Justin, I used ~20 windows to sample ~2 nm pulling. I notice that the distance between the complex being increased during the pulling but not gradually. At the distance of 0-1nm, there are 70 snapshots (the distance sometime increased someti

[gmx-users] RE: Re: Binding Energy to Binding affinity (Kd) (Justin Lemkul)

2012-10-02 Thread Du Jiangfeng (BIOCH)
Hi Justin, I used ~20 windows to sample ~2 nm pulling. I notice that the distance between the complex being increased during the pulling but not gradually. At the distance of 0-1nm, there are 70 snapshots (the distance sometime increased sometimes decreased). At the distance of 1-2nm, there are