Hi,
> WARNING: Local coordinate 139 differs from partner coordinate 124
this suggests that sander thinks entry 139 and 124 in the v0.rst and
v1.rst should be the same, since they belong to the same common atom. Is
that the case? If not, that atom should be part of the softcore region, or
you need to adjust your input structure.
Kind Regards,
Thomas
Dr. Thomas Steinbrecher
formerly at the
BioMaps Institute
Rutgers University
610 Taylor Rd.
Piscataway, NJ 08854
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Received on Thu May 23 2013 - 12:30:03 PDT
