subject:"\[gmx\-users\] monitoring the water molecules"

Re: [gmx-users] monitoring the water molecules

2011-06-16 Thread Mark Abraham

On 17/06/2011 12:55 PM, Ramachandran G wrote: Hi gmx-users. I am doing MD simulation with the green fluorescent protein, where confined water molecules exist inside the protein barrel. During the coarse of the simulation i noticed these confined water molecule get exchange with outside bulk

[gmx-users] monitoring the water molecules

2011-06-16 Thread Ramachandran G

Hi gmx-users. I am doing MD simulation with the green fluorescent protein, where confined water molecules exist inside the protein barrel. During the coarse of the simulation i noticed these confined water molecule get exchange with outside bulk water. Is it possible to monitor or mark the wat