[gmx-users] mdp files gromacs 3.3

Yang Ye leafyoung at yahoo.com
Thu Jul 26 19:29:45 CEST 2007


refer to latest manual pls.

On 7/26/2007 11:16 PM, Rigden, LucianeVMello wrote:
>
> Dear all,
>
> I am using gromacs 3.3-1, ff G53a6.
> When using mdp files, as for example for a relax_md, I got the 
> following error messages:
>
> WARNING 1 [file relax.mdp, line unknown]:
>   Unknown left-hand 'bd-temp' in parameter file
>
> WARNING 2 [file relax.mdp, line unknown]:
>   Unknown left-hand 'zero-temp_time' in parameter file
>
> I got the mdp file from gromacs website: mdp file format
>
> I also tried the one I was using before for gromacs 3.0, and I got 
> exactly the same error message.
>
> Any help would be appreciated.
>
> Thanks in advance,
> Luciane
>
>
>
> Dr Luciane Vieira de Mello               
> School of Biological Sciences            
> Room 2.20, Life Science Building
> Tel:(+44) 151 795 5140
> FAX:(+44) 151 794 5130
> University of Liverpool
> Crown St.,Liverpool L69 7ZB, U.K.
>
>
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