Hi Mr.Vojtech, Thanks for your reply and you made very important caution to me. Really good insight ! Hope to hear more from you.
With thanks! B.Nataraj On Wed, 05 Apr 2006 09:43:09 +0200, "Vojtěch Spiwok" <[EMAIL PROTECTED]> said: > > Hi gmxions, > > I have found out the eigen vectors computed of from a > > protein’s > > simulation. Now I want to project > > coordinates of entire simulation on to eigen vectors to see the > > collective , anharmonic motion of that protein. > > And doing so for wild and mutant protein, I expect to trace the reason > > for catalytic efficiency of the proteins in question between its wild > > and mutant form. Am I Techniquely sound right here? Otherwise eigen > > vectors compuations is for any other different purpose ? > > > > > > With thanks ! > > B.Nataraj > > > Dear Raja > > First, there might be some problems as the topology > of the mutant is different. I also sugest to look > at projection of mutants' dynamics on WTs' eigenvectors > as well as WTs' dynamics on mutants' eigenvectors. > > Vojtech > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php -- raja [EMAIL PROTECTED] -- http://www.fastmail.fm - Or how I learned to stop worrying and love email again _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
