AMBER Archive (2000)

Subject: Re: Sander error in AMBER5

From: jim caldwell (caldwell_at_heimdal.compchem.ucsf.edu)
Date: Thu Oct 05 2000 - 15:22:55 CDT


Please check your spacing, only ONE space is allowed before
the "&". I don't think this is documented.

jim

On Fri, 6 Oct 2000, Bhupesh Taneja wrote:

> Dear all,
> I am a beginner with AMBER and just started to use AMBER 5.0.
> Hence please bear with my naive problem.
>
> I was trying to run a script as below ( as suggested in AMBER tutorial):
>
> "
> &cntrl
> maxcyc=200, imin=1, cut=12.0, nsnb=20, idiel=0, scee=2.0, ntpr=10,
> &end "
>
>
> However, I always get the following error in the output file:
>
>
> " Here is the input file:
>
> &cntrl
> maxcyc=200, imin=1, cut=12.0, nsnb=20, idiel=0, scee=2.0, ntpr=10,
> &end
> -------------------------------------------------------------------------------
>
> &cntrl
>
> old-style input no longer supported "
>
>
> Can anyone suggest what am I missing? Thanks in advance for all help,
>
>
> Bhupesh.
>
> ******************************************
> * *
> * Bhupesh Taneja, SRF (Graduate student) *
> * Institute of Microbial Technology, *
> * Sector 39-A, *
> * Chandigarh - 160 036. (INDIA). *
> * Ph: +91 172 695226 extn 494 *
> * *
> * Email : bhupesh_at_bragg.imtech.ernet.in *
> * bhupesht_at_yahoo.com *
> http://www.bragg.imtech.ernet.in/bhupesh
> * *
> ******************************************
>
>

----------------------------------------------------------------------------
James W. Caldwell (voice) 415-476-8603
Department of Pharmaceutical Chemistry (fax) 415-502-1411
Mail Stop 0446 (email) caldwell_at_heimdal.ucsf.edu
513 Parnassus Avenue (video) farbauti.compchem.ucsf.edu
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San Francisco, CA 94143-0446
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