[gmx-users] Does Gromacs support CHARMM force field now?

Justin A. Lemkul jalemkul at vt.edu
Wed Nov 11 12:49:05 CET 2009



xuji wrote:
> Hi all GMX users:
> 
> I noticed that there're charmm27 force field files in Gromacs-4.0.5 software
> package. But charmm27 force field can't be choosed in pdb2gmx. So can I use 
> charmm27 force field in Gromacs now?
> 

No.  It will be supported as of version 4.1, as has been stated many times over
this list (hint: check the archives!)

-Justin

> Thanks for any advice in advance!
> 
> 2009-11-11 
> ------------------------------------------------------------------------ Ji
> Xu The State Key Laboratory of Multiphase Complex System Institute of Process
> Engineering Chinese Academy of Sciences Beijing 100190, China Tel.: +86 10
> 8262 3713-804 
> ------------------------------------------------------------------------ **
> 

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

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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