Thanks for the reply, may be this is trivial question to you That I know that how to select phosrous atom alone of POPC. Normally people are using only phosphrous atom or PO4 group ? for density calculation ,etc analysis. In one article I found that they have done density analysis for PO4 group. Could you please tell me which one use it for analysis if PO4 how select by using make_ndx? Thanks alot in advance.
On Wed, 16 Jul 2008 Florian Haberl wrote : >Hi, > >On Wednesday, 16. July 2008, minnale wrote: > > Hi Users, > > I want to do analysis of g_density of lipidbilayer so how can I select po4 > > and N(CH3)3 groups seperately by using make_ndx from popc. Can anyone tell > > me detail with which options use? > > I have checked in archives that create sn1.ndx and sn2.ndx files but i > > didnt get celarly. Thanks in advance > >Take first a look on your .gro file and identify the atoms you want to select. > >try something like: > >make_ndx -f your_file.gro > >a P* > >this should select all atoms with P in your system., it also depends on the >used force field. > >Also "h" prints out some inforamation about the selection choices. > > >greetings, > >Florian > >-- >------------------------------------------------------------------------------- > Florian Haberl > Computer-Chemie-Centrum > Universitaet Erlangen/ Nuernberg > Naegelsbachstr 25 > D-91052 Erlangen > Telephone: +49(0) â 9131 â 85 26573 > Mailto: florian.haberl AT chemie.uni-erlangen.de >-------------------------------------------------------------------------------
_______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
