[gmx-users] monitor the size of the computational box

2015-07-06 Thread Giannis Gl
Dear all, I would like to ask what is the best way to monitor the size of the computational box (i.e. the volume) during a simulation. I know that it must stay constant during the simulation but, in my case, it seems that it doesn't. There is an error poping up when I try to use the gmx hbond

Re: [gmx-users] monitor the size of the computational box

2015-07-06 Thread Justin Lemkul
On 7/6/15 11:15 AM, Giannis Gl wrote: Dear all, I would like to ask what is the best way to monitor the size of the computational box (i.e. the volume) during a simulation. I know that it must stay constant during the simulation but, in my case, it seems that it doesn't. The box is only