Hi,
I am trying to start a simulation involving
self-assembly of protein on Au (111) surface where 111
designates the miller indices of the plane.
I know how to construct a FCC lattice and the
coordinates of a system using Fortran code. But I have
no clue of how to get the coordinates of (111) plane
of FCC lattice (possibly by modifying the Fortran code
for FCC lattice construction).
When I searched similar kind of work on gromacs user
archive I found plenty of discussions regarding the
simulation of this kind . However,Though It may be
trivial for most simulation-people, I did not get any
idea (mainly technical details) of how to get the
coordinates of a (111) surface.
Any help in this respect (regarding algorithm of
constructing 111 surface or corresponding Fortran
code ) will be greatly appreciated.
Also, let me know whether there is any option in
gromacs or any other programme to generate the 111
surface.
.
Thanks in advance,
Jagannath Mondal
Download prohibited? No problem! To chat from any browser without
download, Click Here: http://in.messenger.yahoo.com/webmessengerpromo.php
_______________________________________________
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
