<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;">Hi everyone. I'm doing some simulations involving the sugar trehalose, with the 53a6 force field. There is an odd issue I am having with the rtp file for trehalose. It seems to be charged. Here is the beginning of the rtp entry:<div><br></div><div> [ TRH ]</div><div> [ atoms ]</div><div> HO4 H 0.41000 0</div><div> O4 OA -0.64200 0</div><div> C4 CH1 0.23200 0</div><div> C3 CH1 0.23200 1</div><div> O3 OA -0.64200 1</div><div> HO3 H 0.41000 1</div><div> C2 CH1 0.23200
2</div><div> O2 OA -0.64200 2</div><div> HO2 H 0.41000 2</div><div> C6 CH1 0.23200 3</div><div> O6 OA -0.64200 3</div><div> HO6 H 0.41000 3</div><div> C5 CH1 0.37800 4</div><div> O5 OA -0.45000 4</div><div> C1 CH1 0.24200 4</div><div> O1 OA -0.34000 4</div><div> C1' CH1 0.24200 4</div><div> O5' OA -0.45000 4</div><div> C5' CH1 0.37800 4</div><div> C4'
CH1 0.27500 5</div><div> O4' OA -0.60000 5</div><div> HO4' H 0.47000 5</div><div> C3' CH1 0.23200 6</div><div> O3' OA -0.64200 6</div><div> HO3' H 0.41000 6</div><div> C2' CH1 0.23200 7</div><div> O2' OA -0.64200 7</div><div> HO2' H 0.41000 7</div><div> C6' CH1 0.23200 8</div><div> O6' OA -0.64200 8</div><div> HO6' H 0.41000 8</div><div><br></div><div>Charge group 5 has a net charge of +0.145.
Is this a typo? Should I just change it to be the same as the other C-O-H charge groups?</div></td></tr></table><br>