AMBER Archive (2000)

Subject: reading back into leap

From: Marcela Madrid (mmadrid_at_psc.edu)
Date: Wed Jun 21 2000 - 15:50:00 CDT


Hello

Does anybody know how to read back into leap a box
consisting of DNA, counterions and water? Apparently, Leap does not recognize
the water molecules in pdb format.
What I want to do is change one nucleotide in the DNA, read it with
leap and create the new prmtop file.

Thanks, Marcela