AMBER Archive (2003)

Subject: Re: using distance restraints in Sander (AIX 4.3 RS6000)

From: David A. Case (case_at_scripps.edu)
Date: Fri May 16 2003 - 15:42:18 CDT

On Fri, May 16, 2003, Wayne Dawson wrote:
>
>
> dawson% sander -O -i md1z.in -o proteinBox.out -p proteinBox.crd -ref RST

The file referred to by the "-ref" flag is for "reference" coordinates related
to the ntr=1 or ibelly=1 input variables (neither of which you seem to be
using.)

Use the DISANG line in sander to tell it where the NMR restraints are.

> 1525-090 The NAMELIST READ statement cannot be completed because an
> incorrect character was encountered in a NAMELIST group name or item name.
> The program will recover by discontinuing further processing of the READ
> statement.

You need to replace the "&end" statements with "/" on IBM AIX systems. See
if that helps. 

-- 

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