Thanks for your replies :-)
luckily 1.2 is what I had in my script, so I'll simply remove it.
Thanks!
Amparo Garcia-Lopez, Ph.D.
Pharmaceutical Biochemistry
School of Pharmaceutical Sciences
University of Geneva
Quai Ernest-Ansermet 30
1211 Genève 4 - Switzerland
Tel: +41 (0)22 379 3376
Fax: +41 (0)22 379 3360
e-mail: Amparo.GarciaLopez.unige.ch
________________________________________
From: David A Case [case.biomaps.rutgers.edu]
Sent: 12 December 2012 14:00
To: AMBER Mailing List
Subject: Re: [AMBER] If scee is no longer in Amber11, can I simply remove it?
On Wed, Dec 12, 2012, Amparo Garcia Lopez wrote:
>
> Cannot match namelist object name scee
> namelist read: misplaced = sign
> Cannot match namelist object name .2
>
> However, because of my inexperience, I'm not sure whether this means
> that I can simply remove scee from my script, or whether I have to
> replace it with something else.
If you want scee do have its default value of 1.2, you simply remove it from
your script. If you want/need a different value, you will need to regenerate
the prmtop file, since values for scee (which can now be different for
different torsions) are now stored there.
...good luck...dac
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Received on Wed Dec 12 2012 - 05:30:03 PST
