Hello,
I would like to add a charge +1 on a quaternary nitrogen located on a
thiophene derivative but I don't find any information about how to do
this.
I tried to modify my pdb file manually and I tried to impose a charge +1
on the nitrogen atom to create the prmtop and inpcrd files with xleap
too but it doesn't work.
How can restrain a charge on a particularly atom with gaff force field?
Thank you,
Pol
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Received on Fri Feb 05 2010 - 06:00:07 PST
