[gmx-users] Measuring hydrogen bonding in a specific region

2012-07-17 Thread Alex Marshall
Hi all, I have a system that consists of two distinct reservoirs filled with water+NaCl connected by a CNT. I want to measure the average number of hydrogen bonds per water in each reservoir as a function of time, but my current workflow for this is far too time-consuming to get any significant

Re: [gmx-users] Measuring hydrogen bonding in a specific region

2012-07-17 Thread Justin Lemkul
On 7/17/12 4:37 PM, Alex Marshall wrote: Hi all, I have a system that consists of two distinct reservoirs filled with water+NaCl connected by a CNT. I want to measure the average number of hydrogen bonds per water in each reservoir as a function of time, but my current workflow for this is