Bruce Milne wrote:
You don't have to run pdb2gmx for the whole system at any point
Probably true.
(it's
not going to work anyway unless you add the POPC parameters to all the
force field files and then add the POPC residue to the .rtp file so
that pdb2gmx can recognize it).
Not quite true. The contents of the .itp files don't matter to pdb2gmx
since it writes a .top file that #includes them. So you need to have a
working POPC entry in an .rtp file for pdb2gmx, and later on, when using
grompp, you'll need the former contents of the .rtp file to correspond
to stuff the .itp files. The latter you need even without using pdb2gmx,
of course.
Mark
_______________________________________________
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
