The email format is encoded to a point that is hard for me to
decrypt with my primitive email setup, but I note:
> Added 2 residues.
You will probably need to make the box cutoff much bigger to
get more residues in there. Presumably the box will shrink a
lot on equilibration (constant pressure). However for test
puroposes having a few residues might be useful, so I would
run some tests with what you have to see if things blow up.
> my ion structures have been changed.
If you mean the coordinates have been changed, e.g. by shifting
them into a box, that is normal.
Bill
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue May 04 2010 - 16:00:04 PDT
