Sorry for asking what will be common knowledge: where to check for bonds
formed that were commanded to leap (similarly to what is shown in psf
charmm files). I have both regular distances and too long distance for
regular bonds (between enzyme backbone and active center), none detected by
loading parm7/rst7 to vmd, while indicated on leap log.
thanks
francesco pietra
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Received on Sat Jan 03 2015 - 10:30:02 PST
