Hi. I submitted a structure to the Glycoprotein builder in GLYCAM and when
going through tleap, I got the error saying that the total charge
(-46.0300000) is not integral.
I used leaprc.protein.ff14SB and leaprc.GLYCAM_06j-1 and the protein file
directly from the server.
Any idea why this happened?
Thanks
Fabrício
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Received on Wed Nov 23 2016 - 02:30:04 PST
