Re: AMBER: problem with distance restraints

From: David A. Case <case.scripps.edu>
Date: Mon, 22 Jan 2007 15:41:50 -0800

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

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Jan 24 2007 - 06:07:29 PST
Custom Search