VMD-L Mailing List

From: Francesco Pietra (chiendarret_at_gmail.com)
Date: Sat Nov 20 2021 - 09:11:49 CST

Hello
I am trying to carry out MD with a mono-positively charged organic molecule
(small molecule, "natural product") in chloroform.

It seems to me that there is no point - or no easy way - to neutralize.
That mono-positively chrged molecule (NMR identified) represents one of the
species in a complex environment containing the MsOH strong acid, and where
the prevalent existing base is also an organic molecule

thanks for advice

francesco pietra