[gmx-users] Regarding Glycine structure
Dilip H N
cy16f01.dilip at nitk.edu.in
Thu Mar 23 19:07:12 CET 2017
I want the glycine to be in its non zwitter ionic form [NH2CH2COOH] as
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On Thu, Mar 23, 2017 at 11:35 PM, Dilip H N <cy16f01.dilip at nitk.edu.in>
> 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.
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With Best Regards,
Department of Chemistry, NITK.
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