Hi all,
While trying to build a hexasaccharide using leap and GlcNH2_and_GlcNH3.prep.
source leaprc.GLYCAM_06j-1
loadamberprep GlcNH2_and_GlcNH3.prep
loadamberparams glcnh3.frcmod
glycan = sequence { ROH 4ZB 0YNP }
set glycan tail glycan.3.O4
glycan = sequence {glycan 4ZB 0YNP }
saveAmberParm glycan glycam.prmtop glycam.crd
savepdb glycan glycam.pdb
I was told that I need to delete the HO4 and alter the charge, as I was getting this error:
> Checking Unit.
> ERROR: The unperturbed charge of the unit: 0.194000 is not integral.
> WARNING: The unperturbed charge of the unit: 0.194000 is not zero.
May I get some help on how to properly do this?
Thanks in advance,
Tarsis
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