[gmx-users] Regarding Glycine structure

Dilip H N cy16f01.dilip at nitk.edu.in
Thu Mar 23 19:05:29 CET 2017


I have a non zwitter ionic glycine molecule [NH2CH2COOH] in water, and in
the first step if i do the energy minimization and then visualizes the
mixture, the glycine is no more in its pure form as before instead it has
been converted to its zwitter ionic form [NH3CH2COO], and some Hydrogen
bonds with water are also broken. How can i solve these both issues..??

With Best Regards,

Research Scholar,
Department of Chemistry, NITK.

  <https://mailtrack.io/> Sent with Mailtrack

More information about the gromacs.org_gmx-users mailing list