AMBER Archive (2008)

Subject: RE: AMBER: Is it possible to run PIMD simulation with QM/MM potential in Amber10?

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Tue Apr 15 2008 - 10:47:53 CDT

As far as I am aware it should work. It should work in Amber 9 as well I
think. You will have to test things carefully though.
 
Good luck,
Ross

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|\oss Walker

| Assistant Research Professor |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross_at_rosswalker.co.uk |
| http://www.rosswalker.co.uk <http://www.rosswalker.co.uk/> | PGP Key
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From: owner-amber_at_scripps.edu [mailto:owner-amber_at_scripps.edu] On Behalf Of
cgji
Sent: Tuesday, April 15, 2008 08:27
To: amber
Subject: AMBER: Is it possible to run PIMD simulation with QM/MM potential
in Amber10?

Dear Amber users,
 
Is it possible to run Path-Integral Molecular Dynamics simulations with
QM/MM potential in Amber10?
 
 
 
Many thanks for your help.
 
 
Yours sincerely,
Changge JI
2008-04-15

  _____

cgji

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