VMD-L Mailing List
From: Michetti Davide (dmichetti_at_gmail.com)
Date: Mon May 04 2015 - 08:49:46 CDT
I am following the FFTK tutorial to parametrize an Uracilate anion (negative charge on N1). Looking at the optimization of some donor water, in the water interaction step, I have seen that the one that are interacting with C2, C4, C5 and H5, H6 move really far from the molecule. Is it normal or have I messed up with the setup?