Hi,
in that case, could you post your leap output? Does leap complain in any
way during reading the pdb-file? What does the 'check <molecule>' command
give?
Are you sure that SHAKE is turned on in your simulations? Not having that
on might mess up your water geometries...
Regards,
Thomas
Dr. Thomas Steinbrecher
BioMaps Institute
Rutgers University
610 Taylor Rd.
Piscataway, NJ 08854
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Received on Wed Jan 14 2009 - 01:14:06 PST
