Re: [gmx-users] Re: Re: Re: Re: Re: umbrella potential

2009-09-27 Thread Justin A. Lemkul
Stefan Hoorman wrote: Ok. The histogram is the actual result. As I said, my windows are all there, all the reaction coordinates I mentioned before are there to be analysed and in the correct order, but the result comes always the same way. This histogram is the actual result. Then all yo

[gmx-users] Re: Re: Re: Re: Re: umbrella potential

2009-09-27 Thread Stefan Hoorman
> > Stefan Hoorman wrote: > > > Ok Justin, here are both profile and histogram files. Please let me know > > if you can't get access or something like this. I have never used this > > protobucket before. > > " > http://i784.photobucket.com/albums/yy123/stefhoor/wham_stefhoor/profile.jpg > " > > " >

Re: [gmx-users] Re: Re: Re: Re: Re: umbrella potential

2009-09-21 Thread Justin A. Lemkul
Stefan Hoorman wrote: Stefan Hoorman wrote: > I am starting again my calculations for the real system and this am > going to use as starting positions distances in intervals of 0.1nm. Some > of them aren't really 0.1nm apart since the distance between the > twogrou

[gmx-users] Re: Re: Re: Re: Re: umbrella potential

2009-09-21 Thread Stefan Hoorman
> > > Stefan Hoorman wrote: > > > I am starting again my calculations for the real system and this am > > going to use as starting positions distances in intervals of 0.1nm. Some > > of them aren't really 0.1nm apart since the distance between the > > twogroups in my first trajectory does not alway