Hello All, I have basic questions regarding the procedure to generate an new xtc where a membrane protein inserted a detergent micelle is properly oriented for the computation of 2D density Map. Indeed for this calculation I need to have the protein-surfactant complex properly oriented along a given axis (say Z). For this I chose two atoms and define a vector in my protein and I would like that this vector // to z axis. How to this in GROMACS? I think that editconf can do the trick, however I notice that this tool cannot use and output an xtc file. So is there an alternative approach ? If yes how (an example of command line will be very useful)
Thanks in advance Stephane -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to [email protected].
