Tsjerk Wassenaar wrote:
Hi Alex,
I think you're best off describing the wall with particles. You can
freeze them to a specific position (make it a freeze-group) and set
all interactions between them to zero. You can tune your particles to
be hydrophilic or hydrophobic.
Hope it helps,
If that really is not what you want, then please write down some
equations how you would treat a hydrophilic wall. Just a Lennard Jones
is not very complicated, and we have actually done something like that
in the past (Wensink et al. Langmuir 16 (2000), p. 7392).
--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
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
