Re: [gmx-users] Problem in g_enemat in Gromacs 4.5.5

2013-07-07 Thread Mark Abraham
And please replicate it with a more recent 4.5.x or 4.6.x first! Mark On Sun, Jul 7, 2013 at 3:17 AM, Justin Lemkul wrote: > > > On 7/6/13 8:21 AM, rama david wrote: >> >> Hi Friends, >> I am working on peptide self assembly. >> I simulated two peptide which are random coil and apart from ea

Re: [gmx-users] Problem in g_enemat in Gromacs 4.5.5

2013-07-06 Thread Justin Lemkul
On 7/6/13 8:21 AM, rama david wrote: Hi Friends, I am working on peptide self assembly. I simulated two peptide which are random coil and apart from each other. As the time process they start to interact and form antiparallel beta sheet structure. My plan is to find the energy diffe