On Fri, Oct 29, 2010, Stefano Pieraccini wrote:
>
> I am trying to load in tleap a file pdb file fenerated with a home made
> program, that contains more than 1000000 residues. Using different chains is
> not enough, I have already finished the alphabet.
Does it not work to have chain "A" follow "Z"? I don't know what the real
limits on number of chains or residues is in leap, but I don't think there are
any (aside from total memory). Since leap is reading in a pdb format file,
we are limited in changes we can make, since we want to maintain consistency
with the pdb.
Note: I don't know how big your residues are, but if you have a million of
them, you are dealing with molecules larger than Amber is intended to deal
with. Even if you get it loaded, you won't be able to do much with your
system. And you should not be surprised to see size limits pop up in other
parts of the Amber suite of programs.
....dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Oct 29 2010 - 06:00:03 PDT
