AMBER Archive (2005)

Subject: Re: AMBER: Protein with structural ions

From: Kara Di Giorgio (kdigiorgio_at_sbcglobal.net)
Date: Mon Apr 11 2005 - 10:40:45 CDT

Thanks for the clues. I think I figured it out. I'm running a short
simulation now and will see in an hour or so, but the output file looks
good so far.

Thanks again,

Kara Di Giorgio

On Apr 11, 2005, at 7:50 AM, David A. Case wrote:

> On Sun, Apr 10, 2005, Kara Di Giorgio wrote:
>>
>> The NAMELIST READ statement cannot be completed because item DISANG
>> is
>> not a member of the NAMELIST group cntrl. The program will recover by
>> discontinuing further processing of the READ statement.
>> STOP 1
>>
>> Any idea what I did wrong?
>
> Really look *carefully* at the example input files in the Users'
> Manual,
> or in $AMBERHOME/test/nmr? DISANG is not supposed to be a namelist
> statement.
>
> ...dac
>
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber_at_scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
>

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu