Merci, Thats what I was afraid off. Small script might be able to do it with x1<N<x2, xyz coordinates and just ripping atoms from the index with those criteria? Thanks,
Stephan -------- Original-Nachricht -------- > Datum: Sat, 31 Mar 2012 13:35:06 -0400 > Von: "Dr. Vitaly V. Chaban" <[email protected]> > An: [email protected] > Betreff: [gmx-users] Re: hkl harker sections > > Hello all, > > > > Does anyone know where to look to do a slice of my unit cell along > sections (energies, forces etc...) or to just give a list of all atoms in the > slice. Something like an h,k,l or x,y,z slice through a section. > > > > Stephan Watkins > > -- > > > I believe the only way is to construct the index file by hand. > > > Dr. Vitaly V. Chaban, 430 Hutchison Hall, Chem. Dept. > Univ. Rochester, Rochester, New York 14627-0216 > THE UNITED STATES OF AMERICA > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > 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/Support/Mailing_Lists -- NEU: FreePhone 3-fach-Flat mit kostenlosem Smartphone! Jetzt informieren: http://mobile.1und1.de/?ac=OM.PW.PW003K20328T7073a -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! 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/Support/Mailing_Lists
