Re: [gmx-users] Dihedral energy map along two eigenvectors to actual conformations

Found the answer, thanks to personal communication by Dr. Yuguang Mu. Here it is for anyone interested. Each point on the energy landscape corresponds to a time. This time can be tracked simply by using g_anaeig and using -proj to assign a file name and -first, -last to assign eigenvectors of inte

Re: [gmx-users] Dihedral energy map along two eigenvectors to actual conformations

> > Yes I have been using the how-to for making the energy landscape. Now I > just need to go backwards. > > Ali Naqvi wrote: > > Hi all, > > I have been following the method outlined by Yuguang Mu to generate the > > energy landscape along two eigenvectors. There are four minima that I > > wish to

Re: [gmx-users] Dihedral energy map along two eigenvectors to actual conformations

Ali Naqvi wrote: Hi all, I have been following the method outlined by Yuguang Mu to generate the energy landscape along two eigenvectors. There are four minima that I wish to explore. I can determine the points along the vectors that correspond to the conformation, but am unsure of how to us

[gmx-users] Dihedral energy map along two eigenvectors to actual conformations

Hi all, I have been following the method outlined by Yuguang Mu to generate the energy landscape along two eigenvectors. There are four minima that I wish to explore. I can determine the points along the vectors that correspond to the conformation, but am unsure of how to use those to obtain the co