> Does anyone know the command for adding counterions (Cl-) to a single
> protein that has been protonated by 19 H+?
If there is an H+ molecule defined (not sure if this is the case),
this cmd would add Cl- to neutralize:
> addions my_mol Cl- 0
If you are solvating with water, better to do that 1st.
If there is no H+ molecule template, you will have to make one;
see tutorials.
Bill
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Jul 01 2010 - 11:00:04 PDT
