AMBER Archive (2000)

Subject: (no subject)

From: gail louise dempsey (gd2f_at_cms.mail.virginia.edu)
Date: Tue Oct 24 2000 - 17:54:32 CDT

Dear Amber Community,

I am interested in examining a box of 216 water molecules. I tried to
build this box by starting with one water molecule in Leap and then using
the command
solvatebox x WATBOX216 10

However, my watbox.crd file has 1125 atoms instead of the expected
648+3=651. I am not sure why this would have happened.

Please let me know if you have any comments/suggestions as to how I can
build a box of just 216 water molecules.

Thank you so much for your help so far, especially to David Case and Bill
Ross most recently.

Sincerely,
Gail