SV: [gmx-users] Order parameter for unsaturated lipid chain in UAmodel

2010-03-06 Thread Tim Sirk
Sarah, I remember some changes to the double bond awhile back, perhaps you're using those? POPC (Berger/Tielman) is normally 'smoother' as Justin says. Maybe someone has a reference for the updates. Tim Sirk -- gmx-users mailing listgmx-users@gromacs.org

SV: [gmx-users] Order parameter for unsaturated lipid chain in UAmodel

2010-03-01 Thread Tim Sirk
Sarah, I remember some changes to the double bond awhile back, perhaps you're using those? POPC (Berger/Tielman) is normally 'smoother' as Justin says. Maybe someone has a reference for the updates. Tim Sirk -- gmx-users mailing listgmx-users@gromacs.org

SV: [gmx-users] Order parameter for unsaturated lipid chain in UAmodel

2010-02-25 Thread Sarah Witzke
Thank you for your quick respons! It is not so much the drop, but more the position and the prescens of a small drop, then a little rise and then the big drop. I have pasted the file in below. Do you think my method of replacing the order parameters for the double bonded atoms is ok?

Re: SV: SV: [gmx-users] Order parameter for unsaturated lipid chain in UAmodel

2010-02-25 Thread Justin A. Lemkul
the literature - there's lots out there! -Justin Fra: Justin A. Lemkul [mailto:jalem...@vt.edu] Sendt: to 25-02-2010 15:14 Til: Sarah Witzke Emne: Re: SV: [gmx-users] Order parameter for unsaturated lipid chain in UAmodel Sarah Witzke wrote: Thank you