AMBER Archive (2007)

Subject: Re: AMBER: problem with distance restraints

From: David A. Case (case_at_scripps.edu)
Date: Mon Jan 22 2007 - 17:41:50 CST

On Mon, Jan 22, 2007, Ed Pate wrote:
>
> PGFIO-F-239/namelist read/unit=33/entity name is not member of group.
> File name = /home/pate/sl2_myosin.d/RST formatted, sequential access
> record = 3
> In source file _restal.f, at line number 302

This means that on the third line (record=3) of your input their is a namelist
name that the program doesn't recognize. Generally, namelist errors are
caused by typos of other manglings of the namelist syntax. Unfortunately,
most compiler vendors spend zero time in preparing good error messages.

>
> The file named RST for the statement "DISANG=RST" follows:
> &rst
> ixpk=0, nxpk =0, iat=11899, 1825, r1= 6.6,r2=7.6,r3=8.3,r4=8.8,
> rk2=0., rk3=32.,irg6=1, ialtd=0,
                      ^^^^^^

That presumably should be "ir6", not "irg6".

....dac

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