[gmx-users] Coarse-graining in gromacs

Mark Abraham Mark.Abraham at anu.edu.au
Thu Apr 23 23:41:28 CEST 2009

??????? ????? wrote:
> Dear gmx-user
> I am a very new user in gromacs. I encounter the problem with 
> coarse-grained option in gromacs.
> I have installed the option from the MARTINI tutorials which is 
> “gromacs_reverse.tar.gz”.
> It is ok with following the tutorial to do the coarse-graining but when 
> I want to do all atomistic simulation, the mdrun program will ask for 
> “coarse.xtc” file.
> What should I include for that file. Could you please help me to figure 
> out this problem.

Assuming this is some modified version of GROMACS, does its 
documentation suggest that you can do normal simulations with the same 
executable? If not, you'll need to manage having two installations.


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