[gmx-users] Replacement for G43b1 force field?

[Justin A. Lemkul]

 From the archives, a simple search for "43b1 4.0":

http://www.gromacs.org/pipermail/gmx-users/2008-December/038463.html

-Justin

Anirban Ghosh wrote:
> Hi ALL,
> I want to do a MD simulation of a GPCR protein using GROMACS vacuum force field. I want to use the old force field G43b1 (vacuum simulation) 
> which is not there in GROMACS4.0.3. I would like to know which is the substitute for this G43b1 force field
> from the present menu:
> 
> Select the Force Field:
>  0: GROMOS96 43a1 force field 
>  1: GROMOS96 43a2 force field (improved alkane dihedrals)
>  2: GROMOS96 45a3 force field (Schuler JCC 2001 22 1205)
>  3: GROMOS96 53a5 force field (JCC 2004 vol 25 pag 1656) 
>  4: GROMOS96 53a6 force field (JCC
>  2004 vol 25 pag 1656) 
>  5: OPLS-AA/L all-atom force field (2001 aminoacid dihedrals)
>  6: [DEPRECATED] Gromacs force field (see manual)
>  7: [DEPRECATED] Gromacs force field with hydrogens for NMR
>  8: Encad all-atom force field, using scaled-down vacuum charges
>  9: Encad all-atom force field, using full solvent charges
> 
> Should I use the 8th one? The new manual for GROMACS4.0 also does not reflect this change.
> Any suggestion is welcome.
> 
> 
> Regards,//
>  
> //
> 
>  
>  
> *Anirban Ghosh*
> *Grade Based Engineer
> Bioinformatics Team
> Centre for Development of Advanced Computing (C-DAC)
> Pune, India
> *
> 
> 
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-- 
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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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