AMBER Archive (2004)

Subject: RE: AMBER: Can parallel simulation have a nonperiodic boundary condition?

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Wed Nov 10 2004 - 18:26:27 CST

Yes it can. And why didn't you just try it to see what would happen?
 
Also, igb=0 is the default this means no generalised born....
 
Do you mean ntb=0 (no periodic boundaries)?
 
Either way it will run these options in parallel.
 

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|\oss Walker

| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
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  _____

From: owner-amber_at_scripps.edu [mailto:owner-amber_at_scripps.edu] On Behalf Of
qlu_at_notes.cc.sunysb.edu
Sent: 10 November 2004 14:12
To: amber_at_scripps.edu
Subject: AMBER: Can parallel simulation have a nonperiodic boundary
condition?

Hi AMBER Users

Can AMBER runs a parallel simulation with igb=0?

Qiang Lu
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