AW: problem with water molecules angle in MD simulation

From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Wed Jan 28 2015 - 10:50:47 CST

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Von: Shoresh Shafei [mailto:s.shafei_at_gmail.com]
Gesendet: Mittwoch, 28. Januar 2015 17:21
An: Norman Geist
Betreff: Re: namd-l: problem with water molecules angle in MD simulation

Hi Norman,

The minimization and constant T simulation input files are attached.

Ok, I’ll see trough it tomorrow.

The rigid bond option did not work when used in Minimization simulatio

Where did you conclude this from?

n.

Thank You!

Shoresh

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