Re: [AMBER] TI calculation Fatal error in PMPI_Bcast

From: Jason Swails <jason.swails.gmail.com>
Date: Fri, 28 Feb 2014 08:12:43 -0500

On Fri, 2014-02-28 at 16:29 +0800, Ying-Chieh Sun wrote:
> Hi,
> It may be that, sander does not handle clambda=0.0 case! Hope this help.

This is true for soft-core TI in sander. When ifsc=0 (as is default in
this case), clambda=0 is handled fine.

All the best,
Jason 

-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Fri Feb 28 2014 - 05:30:04 PST
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