Thank you very much. My bilayers were initially built with packmol which is probably why z>6 worked. I will keep this in mind.
On Wed, Sep 25, 2013 at 9:46 PM, Teemu Murtola <teemu.murt...@gmail.com>wrote: > Hello, > > On Wed, Sep 25, 2013 at 5:48 PM, rajat desikan <rajatdesi...@gmail.com > >wrote: > > > I have a dopc+50% cholesterol bilayer. I want to selectively choose the > > upper and lower leaflets. I used g_select the following way > > g_select -s DOPC_0.5chl.gro -select 'resname DOPC and resname Cholesterol > > and z>6' (6 is the COM of my box) > > > > I am getting the following error. > > Possible bug: > > one of the values for comparison missing > > > > g_select -s DOPC_0.5chl.gro -select 'resname DOPC and resname > Cholesterol' > > works perfectly fine. What is the problem? > > > > Your problem is that 'resname DOPC and resname Cholesterol' by definition > selects zero atoms. Try 'resname DOPC Cholesterol' instead. I will fix the > error message, but most likely not in any upcoming 4.6.x releases. > > You may also find that unless you bilayer is very flat and static, you > don't get exactly the atoms you want. Try 'resname DOPC Cholesterol and > res_com z > 6'. > > Best regards, > Teemu > -- > gmx-users mailing list gmx-users@gromacs.org > 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 gmx-users-requ...@gromacs.org. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- Rajat Desikan (Ph.D Scholar) Prof. K. Ganapathy Ayappa's Lab (no 13), Dept. of Chemical Engineering, Indian Institute of Science, Bangalore -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
