[AMBER] how can i deal with large number atoms

From: Wang,Ying <wangying.ufl.edu>
Date: Thu, 5 Feb 2009 00:04:23 -0500 (EST)

Hi, I simulate a system which have 10332 residues and I use the
pdb file to generate the top and crd files. Then I run the
simulation that have to fix the molecule in the heat process. I
use the commands as below:

Keep mole fixed with weak restraints
5.0
RES 1 10332
END
END

but when I use ambpdb command to regenerate pdb file from the top
and crd files I found that the number of residues can only up to
9999. after 9999 will start from 1 again. in this case, could I
still use the fix command as above? can amber recognize the
resides larger than 10000?
Thanks a lot! Your help will be greatly appreciated!

Best,


--
Wang,Ying
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Feb 06 2009 - 01:16:19 PST
Custom Search