[gmx-users] double precision

[Justin A. Lemkul]

abhijit kayal wrote:
> Hi,
> I am going to do the normal mode analysis of 1OMB.pdb.For this purpose I 
> have to run the GROMACS in double precision .For this i went through the 
> manual and made necessart changes in .mdp file.But when I gave grompp_d 
> it showed like this
> [abhijit at SCFBioServer 1omb]$ grompp_d -v -f em.mdp -c b4em.gro -o em.tpr 
> -p 1OMB.top
> -bash: grompp_d: command not found.
>                  I am using GROMACS 4.0.4 version .So my question is why 
> it showed like this.
>                       

Did you specify --program-suffix=_d when doing the double-precision installation?

-Justin


> Thank you
>                                                                                   
> Abhijit Kayal
>                                                                                   
> IIT Delhi
> 
> 
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-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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