[gmx-users] problem in finding gromos53a6.ff

Justin A. Lemkul jalemkul at vt.edu
Fri Jan 20 13:24:32 CET 2012



Anushree Tripathi wrote:
> /I am using gromacs 4.5.3 version and I am trying to follow the tutorials. For 
> // starting I am following the *KALP15 in DPPC* 
> // tutorial(http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/membrane_protein/02_topology.html). 
> // But I am unable to locate following files in the Gromacs folder ..
> // 
> // aminoacids.rtp
>  //aminoacids.hdb
>  //aminoacids.c.tdb
> // aminoacids.n.tdb
> // aminoacids.r2b
>  //aminoacids.vsd
> // ff_dum.itp
> // ffnonbonded.itp
> // ffbonded.itp
> // forcefield.itp 
> // ions.itp
> // 
> // spc.itp
> // watermodels.dat
> // 
> // 
> // Please suggest me where can I find the following files./
> 

They are in $GMXLIB/gromos53a6.ff, where $GMXLIB is the /share/gromacs/top 
subdirectory of your Gromacs installation.

-Justin

-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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