Hi,
thanks for reporting, that does sound troublesome. Between the times you
mentioned, I have checked in new code to treat softcore electrostatics
interactions. But the calculations you did before probably had zero
charges on all softcore atoms anyway, so that shouldnt be the cause for
trouble...
Can you send me (steinbrt.rci.rutgers.edu, not the whole list) the
smallest possible test case where the vlimit problem occurs, along with
your input files?
Kind Regards,
Thomas
Dr. Thomas Steinbrecher
BioMaps Institute
Rutgers University
610 Taylor Rd.
Piscataway, NJ 08854
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Received on Fri Jan 29 2010 - 01:30:02 PST
