AMBER Archive (2008)

Subject: AMBER: build proline

From: Qiuting Hong (qiutinghong_at_gmail.com)
Date: Fri May 16 2008 - 16:32:47 CDT

Hi,

I want to build a single proline as input file. I don't want it to be a
residue. So in the editor, I add a C and O to PRO. However, I don't know how
to name these two new atoms. Does anyone know how to do this.

You may ask what I am trying to do. I want to calculate the dipole moment of
proline as a function of time. I need the proline be a complete molecule (no
net charge). And I don't want to add counterions.

Could somebody help me?
Thank you.

QIUTING

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