AMBER Archive (2003)

Subject: Re: help me switching from amber5 to amber6

From: David A. Case (case_at_scripps.edu)
Date: Wed May 07 2003 - 19:59:54 CDT

On Wed, May 07, 2003, Asif Rahaman wrote:

> I am switching from Amber 5 to Amber 6. I have the topology and pdb file
> made in Amber 5. When I run sander in Amaber 6 with the earlier topology and
> crd file, I get the following errors. Is there a way to get around it???

I don't think your problem has anything to do with the topology files, or
the change from Amber 5 to Amber 6 (although both are pretty old...)

> The error I get:
> ----- END OF GROUP READ -----
> When igb>0, the moving part must be at the
> start of the molecule. This does not seem
> to be the case here.

As the message says, only a very limited version of the belly option is
available when igb>0. There is no direct work-around; you could try using
ntr=1 rather than ibelly=1: that would give very similar results.

..good luck...dac 

-- 

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David A. Case                     |  e-mail:      case_at_scripps.edu
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